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feat: 新增科研软件 benchmark 任务数据

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- 新增 avogadro/imagej/jade/origin/ovito/pymol/vesta 等科研软件任务 JSON
- 修改 vllm_eval.py，修改图片文件名称为第x步
- desktop_env.py 添加额外数据参数 config 和 metadata
This commit is contained in:
lizhanyuan
2026-02-25 15:19:36 +08:00
parent 613f55f0da
commit 9899d4a0c7
85 changed files with 4703 additions and 71 deletions
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44
evaluation_examples/examples/avogadro/building-metal-complexes_task1.json Normal file
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{
"id": "building-metal-complexes_task1",
"snapshot": "avogadro",
"instruction": "在 Avogadro 2 中，使用 Template Tool 创建 [Co(NH3)6]3+ 配位化合物，设置为八面体配位几何。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 Template Tool（快捷键 Ctrl+3 或点击工具栏图标）。\n2. 切换到 Centers 选项卡。\n3. 输入 'Co' 或从弹出菜单中选择钴元素。\n4. 点击三次 '+' 符号，将正电荷设置为 +3。\n5. 按键 '6' 或选择八面体几何形状。\n6. 点击空白区域，放置钴中心，六个氢原子会显示在配位位置。"
}
}

44
evaluation_examples/examples/avogadro/building-metal-complexes_task3.json Normal file
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{
"id": "building-metal-complexes_task3",
"snapshot": "avogadro",
"instruction": "在 Avogadro 2 中，使用 Template Tool 创建 [Ni(en)(NH3)2]2+ 配位化合物，设置为平面四方配位几何。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 Template Tool。\n2. 切换到 Centers 选项卡。\n3. 输入 'Ni' 或从弹出菜单中选择镍元素。\n4. 点击两次 '+' 符号，将正电荷设置为 +2。\n5. 按键 '44' 或选择平面四方几何形状。\n6. 点击空白区域，放置镍中心，四个氢原子会显示在配位位置。"
}
}

44
evaluation_examples/examples/avogadro/building-metal-complexes_task7.json Normal file
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{
"id": "building-metal-complexes_task7",
"snapshot": "avogadro",
"instruction": "在 Avogadro 2 中，创建具有两个环戊二烯基 (Cp) 和两个氯配体的 ZrCp2Cl2 配合物。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 Template Tool，点击 Centers 选项卡。\n2. 输入 'Zr' 或选择锆元素。\n3. 点击四次 '+'，将正电荷设置为 +4。\n4. 按键 '4'，选择四面体几何形状。\n5. 在空白区域放置锆中心。\n6. 切换到 Ligands 选项卡，输入 'cp' 或选择环戊二烯基。\n7. 点击一个氢原子，添加第一个 Cp 配体。\n8. 点击相邻氢，添加第二个 Cp 配体。\n9. 切换到 Draw Tool（快捷键 Ctrl+2）。\n10. 选择 Cl 元素。\n11. 点击两个剩余氢原子，每次点击替换为氯配体。"
}
}

44
evaluation_examples/examples/avogadro/building-organic-molecules_task1.json Normal file
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{
"id": "building-organic-molecules_task1",
"snapshot": "avogadro",
"instruction": "在 Avogadro 2 中，使用软件的 Build 工具插入一个苯环。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击 Build → Insert → Molecule。\n2. 搜索 'benzene' 并确定插入该分子。\n3. 确保苯环显示在工作界面中。"
}
}

44
evaluation_examples/examples/avogadro/building-organic-molecules_task3.json Normal file
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{
"id": "building-organic-molecules_task3",
"snapshot": "avogadro",
"instruction": "在 Avogadro 2 中，在甲苯分子的对位添加一硝基（-NO2），生成 4-硝基甲苯。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 按 'N' 键选择硝基。\n2. 点击甲基对位（苯环上的一个氢原子），将其替换为 -NO2。\n3. 确保分子结构正确。"
}
}

44
evaluation_examples/examples/avogadro/building-organic-molecules_task4.json Normal file
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{
"id": "building-organic-molecules_task4",
"snapshot": "avogadro",
"instruction": "在 Avogadro 2 中，为甲苯分子执行几何优化。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 按 Ctrl+Alt+O 或点击 Auto Optimize 工具执行几何优化。\n2. 检查分子是否获得合乎逻辑的几何结构。"
}
}

44
evaluation_examples/examples/avogadro/building-organic-molecules_task5.json Normal file
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{
"id": "building-organic-molecules_task5",
"snapshot": "avogadro",
"instruction": "在 Avogadro 2 中，使用 Draw Tool 创建一个单碳结构，然后添加一个羧基（-COOH）。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 使用 Draw Tool 在界面中绘制一个单碳。\n2. 激活 Template Tool，通过按 Ctrl+3 或点击工具栏上的图标进入 Groups。\n3. 按 'C' 或 'co' 选择羧基。\n4. 点击单碳结构上的一个氢原子，将其替换为羧基。"
}
}

44
evaluation_examples/examples/avogadro/building-organic-molecules_task9.json Normal file
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{
"id": "building-organic-molecules_task9",
"snapshot": "avogadro",
"instruction": "在 Avogadro 2 中，创建一个 4-甲氧基-3-硝基苯甲酸分子，包含苯环、羧基、硝基和甲氧基。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 插入苯环。\n2. 按 'C' 键选择羧基，并添加到苯环的第 1 个位置。\n3. 按 'N' 键选择硝基，并添加到苯环的第 3 个位置。\n4. 按 'om' 键选择甲氧基，并添加到苯环的第 4 个位置。\n5. 使用优化工具进行几何优化并检查分子是否正确。"
}
}

44
evaluation_examples/examples/avogadro/naming-a-molecule_task1.json Normal file
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{
"id": "naming-a-molecule_task1",
"snapshot": "avogadro",
"instruction": "在 Avogadro 中通过 Analysis → Properties → Molecular... 查看当前分子的 IUPAC 名称及相关性质。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 Avogadro 软件。\n2. 点击菜单栏中的 Analysis。\n3. 从下拉菜单选择 Properties。\n4. 点击 Molecular...。\n5. 在弹出的 'Molecular Properties' 窗口中查看分子的名字和相关信息，例如分子质量、化学式、原子数和键数。"
}
}

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evaluation_examples/examples/avogadro/viewing-electrostatic-potential_task1.json Normal file
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{
"id": "viewing-electrostatic-potential_task1",
"snapshot": "avogadro",
"instruction": "在 Avogadro 中通过 Analyze → Create Surfaces 菜单创建 Van der Waals 表面并设置电荷分布可视化。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\Avogadro2\\bin\\avogadro2.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"avogadro"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 Avogadro 软件并加载目标分子的模型。\n2. 通过菜单栏选择 Analyze → Create Surfaces。\n3. 在弹出的 Create Surfaces 对话框中，将 Surface 设置为 'Van der Waals'。\n4. 将 Color By 设置为 'Electrostatic Potential'。\n5. 选择一个电荷模型（例如 'EEM'）。\n6. 选择色阶为 'Balance'。\n7. 点击 'Calculate' 按钮开始计算表面。\n8. 等待软件完成计算，点击 'Close' 关闭对话框。"
}
}

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evaluation_examples/examples/imagej/user-guide_task1.json Normal file
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{
"id": "user-guide_task1",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 File → New → Image 创建一个名为 'Text Image' 的新图像，设置图像类型为 8-bit，背景填充为 White，并设置宽度为 40 像素，高度为 40 像素。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在菜单栏点击 File → New → Image。\n2. 在弹出的对话框中输入名称 'Text Image'。\n3. 从 Type 下拉菜单中选择 '8-bit'。\n4. 从 Fill With 下拉菜单中选择 'White'。\n5. 在宽度（Width）框中输入 40。\n6. 在高度（Height）框中输入 40。\n7. 点击 OK 按钮完成操作。"
}
}

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evaluation_examples/examples/imagej/user-guide_task10.json Normal file
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{
"id": "user-guide_task10",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 Edit → Selection → Restore Selection 恢复之前存储的选区。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在菜单栏点击 Edit → Selection → Restore Selection。\n2. 在图像上确保选区可见。\n3. 查看并确认选区正确恢复。"
}
}

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evaluation_examples/examples/imagej/user-guide_task2.json Normal file
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{
"id": "user-guide_task2",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 Process → Find Maxima 对 blobs.gif 图像执行 Maxima 寻找，设置噪声容忍值为 50，并选择 Output Type 为 'Single Points'。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/imagej/blobs.gif",
"path": "C:\\Users\\user\\Desktop\\blobs.gif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"blobs.gif"
],
"steps": "1. 打开 blobs.gif 文件。\n2. 在菜单栏点击 Process → Find Maxima。\n3. 在弹出的对话框中，将 Noise Tolerance 设置为 50。\n4. 从 Output Type 下拉菜单中选择 'Single Points'。\n5. 点击 OK 按钮完成操作。"
}
}

44
evaluation_examples/examples/imagej/user-guide_task3.json Normal file
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{
"id": "user-guide_task3",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 Plugins → Utilities → Find Commands 查找关键字 'threshold' 的相关命令，显示完整信息并运行 'Adaptive3DThreshold'。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在菜单栏点击 Plugins → Utilities → Find Commands。\n2. 在弹出的 Command Finder 窗口中输入 'threshold'。\n3. 勾选 'Show full information'。\n4. 在列表中选择 'Adaptive3DThreshold' 并双击运行命令。"
}
}

44
evaluation_examples/examples/imagej/user-guide_task4.json Normal file
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{
"id": "user-guide_task4",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 Image → Adjust → Threshold 使用 'Default' 自动阈值法对当前图像进行阈值分割，并设置显示模式为 Over/Under。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在菜单栏点击 Image → Adjust → Threshold。\n2. 在弹出的对话框中，从 Method 下拉菜单选择 'Default'。\n3. 确保 Display 模式设置为 'Over/Under'。\n4. 点击 Apply 按钮完成操作。"
}
}

44
evaluation_examples/examples/imagej/user-guide_task5.json Normal file
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{
"id": "user-guide_task5",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 Analyze → Tools → Curve Fitting 对数据拟合二次多项式，并将最大迭代次数设为 100。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在菜单栏点击 Analyze → Tools → Curve Fitting。\n2. 在弹出的对话框中，从 Function 下拉菜单选择 '2nd Degree Polynomial'。\n3. 点击 Fit 按钮。\n4. 在 Simplex Fitting Options 中，将 Maximum number of iterations 设置为 100。\n5. 点击 OK 按钮完成拟合。"
}
}

57
evaluation_examples/examples/imagej/user-guide_task6.json Normal file
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{
"id": "user-guide_task6",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 Image → Transform → Rotate 90 Degrees Right 旋转 mri-stack.tif 图像 90°。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/imagej/mri-stack.tif",
"path": "C:\\Users\\user\\Desktop\\mri-stack.tif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"mri-stack.tif"
],
"steps": "1. 打开 mri-stack.tif 文件。\n2. 在菜单栏点击 Image → Transform → Rotate 90 Degrees Right。\n3. 确保图像正确旋转后保存或查看结果。"
}
}

44
evaluation_examples/examples/imagej/user-guide_task7.json Normal file
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{
"id": "user-guide_task7",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 Process → Binary → Options 设置黑色背景选项为开启状态并进行预览。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在菜单栏点击 Process → Binary → Options。\n2. 在弹出的对话框中勾选 'Black Background'。\n3. 点击 Preview 查看效果。\n4. 点击 OK 按钮保存选项。"
}
}

44
evaluation_examples/examples/imagej/user-guide_task8.json Normal file
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{
"id": "user-guide_task8",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 File → Save As → PNG 保存当前图像为 PNG 格式，设置透明索引为 255。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在菜单栏点击 File → Save As → PNG。\n2. 在弹出的对话框中，将透明索引设置为 255。\n3. 输入文件名并指定保存路径。\n4. 点击 OK 按钮完成保存。"
}
}

44
evaluation_examples/examples/imagej/user-guide_task9.json Normal file
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{
"id": "user-guide_task9",
"snapshot": "imagej",
"instruction": "在 ImageJ 中，通过 Analyze → Measure 测量当前选区的面积和灰度值。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\ImageJ\\ImageJ.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"imagej"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 创建或选择一个区域选区。\n2. 在菜单栏点击 Analyze → Measure。\n3. 在弹出的 Results 窗口中查看面积和灰度值等测量结果。"
}
}

46
evaluation_examples/examples/jade/MDIJade6.5使用手册_task1.json Normal file
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{
"id": "MDIJade6.5使用手册_task1",
"snapshot": "jade",
"instruction": "在 MDI Jade 中通过菜单 File → Patterns 加载衍射数据文件 DEMO001.MDI。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"DEMO001.MDI"
],
"steps": "1. 在桌面找到 MDI Jade 图标，双击打开软件。\n2. 点击菜单 File → Patterns。\n3. 在弹出的对话框中选择 DEMO001.MDI 并点击 Open。"
}
}

44
evaluation_examples/examples/jade/MDIJade6.5使用手册_task10.json Normal file
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{
"id": "MDIJade6.5使用手册_task10",
"snapshot": "jade",
"instruction": "从菜单 Options → Cell Refinement 打开晶胞点阵参数对话框并精修点阵常数。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单 Options → Cell Refinement。\n2. 在弹出的对话框中检查点阵参数。\n3. 点击 Refine 按钮进行精修。\n4. 检查精修结果并保存。"
}
}

44
evaluation_examples/examples/jade/MDIJade6.5使用手册_task2.json Normal file
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{
"id": "MDIJade6.5使用手册_task2",
"snapshot": "jade",
"instruction": "在 JADE 中将当前打开的衍射图谱通过 File → Save-Primary Pattern as *.txt 导出为 ASCII 格式，保存为 DEMO001.txt。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单 File → Save-Primary Pattern as *.txt。\n2. 在弹出的保存对话框中，设置文件名为 DEMO001.txt。\n3. 点击 Save 按钮保存文件。"
}
}

44
evaluation_examples/examples/jade/MDIJade6.5使用手册_task3.json Normal file
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{
"id": "MDIJade6.5使用手册_task3",
"snapshot": "jade",
"instruction": "使用 Search/Match 功能进行物相检索，并限制元素范围为 Al, Sn, O。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单 S/M 按钮。\n2. 在 Search/Match 对话框中勾选 Use Chemistry Filter。\n3. 输入限定元素 Al, Sn, O，点击 OK。\n4. 等待物相检索完成，检查结果列表。"
}
}

44
evaluation_examples/examples/jade/MDIJade6.5使用手册_task4.json Normal file
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{
"id": "MDIJade6.5使用手册_task4",
"snapshot": "jade",
"instruction": "在 JADE 中通过 Options → Report-Peak ID Extended 计算 RIR 方法的物相质量分数，并保存结果为 PDF 格式。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开菜单 Options → Report-Peak ID Extended。\n2. 确认结果数据，确保内容显示完整。\n3. 点击 Save，选择文件类型为 PDF。\n4. 输入文件名并点击保存。"
}
}

44
evaluation_examples/examples/jade/MDIJade6.5使用手册_task5.json Normal file
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{
"id": "MDIJade6.5使用手册_task5",
"snapshot": "jade",
"instruction": "通过 Report → Peak Search Report 菜单计算晶粒大小及微观应变，设置 D 值为 1。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单 Report → Peak Search Report。\n2. 在弹出的对话框中选择 Size/strain 选项。\n3. 设置反卷积参数 D 值为 1。\n4. 点击 Save 按钮保存计算结果。"
}
}

44
evaluation_examples/examples/jade/MDIJade6.5使用手册_task6.json Normal file
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{
"id": "MDIJade6.5使用手册_task6",
"snapshot": "jade",
"instruction": "通过 File → Save 菜单保存当前仪器半高宽校正曲线到 Si_hw_curve.fwhm。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单 File。\n2. 选择 Save → FWHM Curve of Peaks。\n3. 在保存对话框中输入文件名 Si_hw_curve.fwhm。\n4. 点击 Save 按钮完成保存。"
}
}

44
evaluation_examples/examples/jade/MDIJade6.5使用手册_task7.json Normal file
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{
"id": "MDIJade6.5使用手册_task7",
"snapshot": "jade",
"instruction": "调用 Options → D-Spacing 菜单计算已知结构的衍射谱，加权强度公式为 Z = 12。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开菜单 Options → D-Spacing。\n2. 在计算衍射谱对话框中，设置加权强度公式参数 Z 值为 12。\n3. 点击 Calculate 按钮以生成计算结果。\n4. 检查结果并关闭窗口。"
}
}

44
evaluation_examples/examples/jade/MDIJade6.5使用手册_task8.json Normal file
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{
"id": "MDIJade6.5使用手册_task8",
"snapshot": "jade",
"instruction": "通过 Options → Calculate Stress 菜单计算残余应力，使用 Fit All 功能拟合曲线。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\JADE\\jade 6.5\\MDI Jade 6.5\\jade6.5.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单 Options → Calculate Stress。\n2. 在弹出的对话框中，选择以 Fit All 功能拟合所有数据。\n3. 检查拟合结果图。\n4. 点击 Save 按钮以保存拟合结果文件。"
}
}

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evaluation_examples/examples/jade/jade_test.json
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@@ -1,29 +0,0 @@
{
"id": "jade_test",
"snapshot": "snapshot",
"instruction": "请打开桌面上的 JADE 6.5 软件",
"source": "custom",
"config": [],
"trajectory": "trajectories/",
"related_apps": [
"jade"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval",
"result": {
"type": "vm_command_line",
"command": "tasklist | findstr /i jade"
}
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low"
}

57
evaluation_examples/examples/origin/Origin_User_Guide_2025b_E_task1.json Normal file
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{
"id": "Origin_User_Guide_2025b_E_task1",
"snapshot": "origin",
"instruction": "在 Origin 中通过 Data → Connect to File 导入一个本地 Excel 文件 example.xlsx",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/origin/example.xlsx",
"path": "C:\\Users\\user\\Desktop\\example.xlsx"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\OriginLab\\Origin2025b\\Origin64.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"origin"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"example.xlsx"
],
"steps": "1. 在 Origin 的主菜单中选择 Data → Connect to File。\n2. 点击 Connect to File 菜单中的按钮。\n3. 选择文件 example.xlsx 并点击 Open。\n4. 数据将被加载到当前的工作表中。"
}
}

44
evaluation_examples/examples/origin/Origin_User_Guide_2025b_E_task11.json Normal file
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{
"id": "Origin_User_Guide_2025b_E_task11",
"snapshot": "origin",
"instruction": "在 Origin 中通过 Graph → Adding Error Bars 添加误差条到现有图表",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OriginLab\\Origin2025b\\Origin64.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"origin"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开一个现有图表并右键点击图表元素。\n2. 选择 Graph → Adding Error Bars。\n3. 选择误差数据列并点击 OK 应用。\n4. 查看图表是否正确添加了误差条。"
}
}

44
evaluation_examples/examples/origin/Origin_User_Guide_2025b_E_task12.json Normal file
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{
"id": "Origin_User_Guide_2025b_E_task12",
"snapshot": "origin",
"instruction": "在 Origin 中通过 Tools → Pick Data Points 工具拾取数据点并保存到新的工作表中",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OriginLab\\Origin2025b\\Origin64.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"origin"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开一个包含数据点的图表。\n2. 在主菜单中选择 Tools → Pick Data Points。\n3. 使用交叉标记在图中选择数据点。\n4. 点击 Done 按钮以保存选择的数据点到新的工作表。"
}
}

44
evaluation_examples/examples/origin/Origin_User_Guide_2025b_E_task2.json Normal file
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{
"id": "Origin_User_Guide_2025b_E_task2",
"snapshot": "origin",
"instruction": "在 Origin 中通过 View → Formula Bar 打开公式栏，并在公式栏输入 =stdev(B1:B10)",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OriginLab\\Origin2025b\\Origin64.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"origin"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在主菜单中选择 View → Formula Bar。\n2. 在出现的公式栏中，点击当前单元格内并输入 =stdev(B1:B10)。\n3. 按 Enter 键以应用公式并计算结果。\n4. 检查公式栏输出的结果是否正确。"
}
}

44
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{
"id": "Origin_User_Guide_2025b_E_task3",
"snapshot": "origin",
"instruction": "在 Origin 中通过 Axis Dialog 修改 X 轴的范围为 20 到 180",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OriginLab\\Origin2025b\\Origin64.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"origin"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在图层的 X 轴区域右键点击并选择 Axis Dialog。\n2. 在左侧选择 Scale 标签。\n3. 将 From 值修改为 20，将 To 值修改为 180。\n4. 点击 Apply To 按钮以应用更改，然后点击 OK 完成。"
}
}

44
evaluation_examples/examples/origin/Origin_User_Guide_2025b_E_task4.json Normal file
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{
"id": "Origin_User_Guide_2025b_E_task4",
"snapshot": "origin",
"instruction": "在 Origin 中通过 Graph → Rescale to Show All 重设比例以显示所有数据",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OriginLab\\Origin2025b\\Origin64.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"origin"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开一个包含数据的图表。\n2. 在主菜单选择 Graph → Rescale to Show All。\n3. 图表比例重设以显示所有数据点。"
}
}

44
evaluation_examples/examples/origin/Origin_User_Guide_2025b_E_task5.json Normal file
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{
"id": "Origin_User_Guide_2025b_E_task5",
"snapshot": "origin",
"instruction": "在 Origin 中通过 Tools → Data Slicer 激活数据切片器并设置切片条件为 X=50",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OriginLab\\Origin2025b\\Origin64.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"origin"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在主菜单中选择 Tools → Data Slicer。\n2. 数据切片器面板将被激活。\n3. 在切片器的条件中选择 X=50 并应用切片。\n4. 图表中将显示切片后的数据点。"
}
}

44
evaluation_examples/examples/origin/Origin_User_Guide_2025b_E_task8.json Normal file
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{
"id": "Origin_User_Guide_2025b_E_task8",
"snapshot": "origin",
"instruction": "在 Origin 中通过 Worksheet → Convert to Matrix 将活动表格转换成矩阵",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OriginLab\\Origin2025b\\Origin64.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"origin"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开一个包含数据的活动表格。\n2. 在主菜单中选择 Worksheet → Convert to Matrix。\n3. 根据对话框选择矩阵转换选项（例如 X Across Columns）。\n4. 点击 OK 完成转换，生成矩阵数据。"
}
}

44
evaluation_examples/examples/origin/Origin_User_Guide_2025b_E_task9.json Normal file
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{
"id": "Origin_User_Guide_2025b_E_task9",
"snapshot": "origin",
"instruction": "在 Origin 中通过 Object Edit Toolbar 对齐选中的图表对象",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OriginLab\\Origin2025b\\Origin64.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"origin"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 使用鼠标选择需要对齐的对象。\n2. 打开 Object Edit Toolbar。\n3. 点击对齐按钮，例如 Align Left 或 Align Center。\n4. 所选对象将以统一对齐样式排列。"
}
}

44
evaluation_examples/examples/ovito/animation_task3.json Normal file
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{
"id": "animation_task3",
"snapshot": "ovito",
"instruction": "在 OVITO 中将动画帧数从默认设置改为 10 帧每秒。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在 OVITO 的顶部菜单栏中选择 'Animation settings'。\n2. 在弹出的 'Animation settings' 窗口中，找到 'Frames per second' 输入框。\n3. 将帧速率设置为 10。\n4. 点击 'OK' 以保存更改。"
}
}

44
evaluation_examples/examples/ovito/aspherical_particles_task1.json Normal file
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{
"id": "aspherical_particles_task1",
"snapshot": "ovito",
"instruction": "在 OVITO 中，为粒子指定球形形状。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 OVITO 软件。\n2. 选择 File → New 或打开一个现有的粒子数据文件。\n3. 在 'Pipeline' 界面选择 'Particles' 可视化元素。\n4. 转到 'Particle types' 面板，将粒子形状调整为 Sphere（球形）。\n5. 确认并应用更改，确保形状为球形并更新可视化。"
}
}

44
evaluation_examples/examples/ovito/clone_pipeline_task1.json Normal file
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{
"id": "clone_pipeline_task1",
"snapshot": "ovito",
"instruction": "在 OVITO 中，通过主工具栏中的 Pipeline 下拉菜单，选择 'Clone current pipeline...' 选项来克隆当前数据通道。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在 OVITO 的主工具栏中找到 'Pipelines' 下拉菜单。\n2. 点击下拉菜单并选择 'Clone current pipeline...'。\n3. 在打开的 'Clone pipeline' 对话框中，选择克隆模式（如 Copy 或 Share）。\n4. 点击 'OK' 按钮完成克隆操作。\n5. 确认在可视化场景中同时显示原始通道和克隆通道的输出。"
}
}

44
evaluation_examples/examples/ovito/code_generation_task1.json Normal file
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{
"id": "code_generation_task1",
"snapshot": "ovito",
"instruction": "在 OVITO 中，通过 File → Generate Python Script 打开代码生成器窗口。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 启动 OVITO 软件。\n2. 点击顶部菜单栏中的 File。\n3. 在下拉菜单中选择 Generate Python Script。\n4. 确保代码生成器窗口正常打开（可见 Python 代码编辑界面）。"
}
}

44
evaluation_examples/examples/ovito/customize_init_state_task1.json Normal file
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{
"id": "customize_init_state_task1",
"snapshot": "ovito",
"instruction": "在 OVITO 中创建一个名为 defaults.ovito 的文件，以保存空的初始会话状态。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 OVITO。\n2. 点击菜单栏中的 File → Save Session State As。\n3. 在弹出的文件保存对话框中，将文件命名为 defaults.ovito。\n4. 确保会话为空（即不包含数据集和管道）。\n5. 点击保存按钮。"
}
}

44
evaluation_examples/examples/ovito/data_model_task1.json Normal file
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{
"id": "data_model_task1",
"snapshot": "ovito",
"instruction": "在 OVITO 中，通过 Data Inspector 检查导入的粒子属性表，包括 Position 和 Potential Energy 列。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 OVITO 软件。\n2. 导入一个包含粒子属性的模拟文件（如 .xyz 格式）。\n3. 点击顶部工具栏中的 Data Inspector 按钮。\n4. 在 Data Inspector 面板查看粒子属性表，包括 Position 和 Potential Energy 列。"
}
}

44
evaluation_examples/examples/ovito/export_task1.json Normal file
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{
"id": "export_task1",
"snapshot": "ovito",
"instruction": "在 OVITO 中，将当前数据管道导出为粒子及其属性的数据表，保存为文件 particle_data.csv。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在菜单栏中，点击 File → Export File。\n2. 在弹出的对话框中，选择导出格式为 'Table of Particles'.\n3. 指定文件名为 particle_data.csv，并选择保存位置。\n4. 点击 'Save' 按钮以完成导出。"
}
}

44
evaluation_examples/examples/ovito/marker_particles_task2.json Normal file
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{
"id": "marker_particles_task2",
"snapshot": "ovito",
"instruction": "在 OVITO 中，调整动画播放速度为每秒 15 帧。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在 OVITO 界面上，点击 Animation Settings 按钮（小钟图标）。\n2. 在 Animation Settings 窗口中，找到 'Frames per second'（帧率）选项。\n3. 将 Frames per second 的值设置为 15。\n4. 点击 'OK' 确认设置。"
}
}

44
evaluation_examples/examples/ovito/miscellaneous_task1.json Normal file
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{
"id": "miscellaneous_task1",
"snapshot": "ovito",
"instruction": "在 OVITO 中，通过 File → Save Session State 保存当前会话为 'session.ovitostate'。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单栏中的 File。\n2. 选择 Save Session State。\n3. 在弹出的保存对话框中选择目标路径并输入文件名 'session.ovitostate'。\n4. 点击 Save 保存文件。"
}
}

44
evaluation_examples/examples/ovito/python_extensions_task1.json Normal file
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{
"id": "python_extensions_task1",
"snapshot": "ovito",
"instruction": "在 OVITO Pro 中，通过 Edit → Python Extensions 打开扩展目录。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 OVITO Pro 软件。\n2. 点击顶部菜单栏中的 Edit 菜单。\n3. 从下拉菜单中选择 Python Extensions。\n4. 查看扩展目录窗口，确认已打开。"
}
}

44
evaluation_examples/examples/ovito/remote_file_access_task1.json Normal file
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{
"id": "remote_file_access_task1",
"snapshot": "ovito",
"instruction": "在 OVITO 中，通过 File → Load Remote File 打开远程 SSH 文件 sftp://user@hostname/path/file",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 OVITO 软件。\n2. 点击菜单 File → Load Remote File。\n3. 在弹出的对话框中填写 Remote URL 字段，例如：sftp://user@hostname/path/file。\n4. 在 File type 下选择 Auto-detect file format。\n5. 在 SSH connection method 下选择 Integrated client (default)。\n6. 点击 Open 完成连接并加载文件。"
}
}

44
evaluation_examples/examples/ovito/remote_rendering_task1.json Normal file
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{
"id": "remote_rendering_task1",
"snapshot": "ovito",
"instruction": "在 OVITO Pro 中设置远程渲染任务的导出目录并配置 CPU 核心数。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 OVITO Pro 软件。\n2. 点击顶部菜单中的 Utilities 标签。\n3. 选择 Render On Remote Computer 工具。\n4. 在弹出的对话框中，点击 'Choose' 按钮为 Bundle Export Directory 设置一个本地导出目录。\n5. 在 CPU cores per task 选项框中输入渲染任务所需的 CPU 核心数量（可为空，默认使用所有核心）。"
}
}

44
evaluation_examples/examples/ovito/rendering_task1.json Normal file
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{
"id": "rendering_task1",
"snapshot": "ovito",
"instruction": "在 OVITO 中，通过 Render Settings 面板渲染主动观察窗口为分辨率 1024x768 的图像，背景为透明色。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 OVITO 软件。\n2. 确保观察窗口激活（黄色边框）。\n3. 点击右侧命令面板上的 Render 图标。\n4. 在弹出的 Render Settings 面板中，选择 'Single frame'。\n5. 设置输出图像大小为 Width: 1024 和 Height: 768。\n6. 选择背景为 'Transparent'。\n7. 点击 'Render active viewport' 按钮完成渲染。"
}
}

44
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{
"id": "transparent_particles_task1",
"snapshot": "ovito",
"instruction": "在软件中，将所有粒子的 Transparency 属性设置为 0.5，使粒子半透明。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\OVITO Basic\\ovito.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"ovito"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开软件并加载需要的粒子数据。\n2. 插入 Compute 属性修正器到数据管道。\n3. 在 Compute 属性修正器中找到 Transparency 属性。\n4. 在表达式字段中输入透明度值 0.5。\n5. 应用设置，确保 Transparency 属性被分配给所有粒子。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_1_task1.json Normal file
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{
"id": "MovieSchool_1_task1",
"snapshot": "pymol",
"instruction": "在 PyMOL 中，通过命令行制作一个简单动画，播放 NMR ensemble。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在 PyMOL 命令行中输入 `fetch 1nmr` 来加载 NMR ensemble。\n2. 输入 `mplay` 命令开始播放动画。\n3. 如果需要停止播放动画，输入 `mstop` 。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_1_task2.json Normal file
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{
"id": "MovieSchool_1_task2",
"snapshot": "pymol",
"instruction": "在 PyMOL 中制作一个场景绕 Y 轴 360 度旋转的动画。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 从菜单中选择适当选项，用于创建场景绕 Y 轴旋转的动画。\n2. 按下“Pressplay”开始播放动画。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_1_task3.json Normal file
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{
"id": "MovieSchool_1_task3",
"snapshot": "pymol",
"instruction": "在 PyMOL 中制作场景摇摆动画，可选择 30, 60, 90, 120 或 180 度摇摆角度。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 从菜单中选择用于设置场景摇摆动画的选项。\n2. 选择摇摆角度（例如 30、60、90、120 或 180 度）。\n3. 按下“Pressplay”启动动画。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_1_task4.json Normal file
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{
"id": "MovieSchool_1_task4",
"snapshot": "pymol",
"instruction": "在 PyMOL 中制作一个简单的场景“摇摆（Nutate）”动画。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 从菜单中选择制作摇摆动画的选项。\n2. 设置摇摆效果参数。\n3. 按下“Pressplay”启动摇摆动画。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_1_task5.json Normal file
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{
"id": "MovieSchool_1_task5",
"snapshot": "pymol",
"instruction": "在 PyMOL 中使用 Scene Loop 制作一个从原子缩放并返回的动画。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 创建一个场景并设置为缩放到特定原子。\n2. 保存该场景。\n3. 使用 PyMOL 中的 Scene Loop 功能连接多个保存的场景。\n4. 播放动画以观察缩放效果。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_3_task1.json Normal file
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{
"id": "MovieSchool_3_task1",
"snapshot": "pymol",
"instruction": "在 PyMOL 中，通过 Movie 菜单添加 2 秒到当前视频的尾部。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单栏中的 Movie。\n2. 从下拉菜单中选择 Append。\n3. 在 Append 子菜单中选择 2 seconds。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_3_task10.json Normal file
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{
"id": "MovieSchool_3_task10",
"snapshot": "pymol",
"instruction": "在 PyMOL 中，通过 ALA Motions 菜单查看 ALA fragment 的运动选项。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在 PyMOL 的底部工具栏上点击 All。\n2. 从下拉菜单中选择 ALA。\n3. 在 ALA 菜单中选择 Motions。\n4. 浏览显示的运动/位置选项。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_3_task2.json Normal file
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{
"id": "MovieSchool_3_task2",
"snapshot": "pymol",
"instruction": "在 PyMOL 中，通过 Movie 菜单设置视频帧率为 15 FPS。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单栏中的 Movie。\n2. 从下拉菜单中选择 Frame Rate。\n3. 在 Frame Rate 子菜单中选择 15 FPS。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_3_task3.json Normal file
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{
"id": "MovieSchool_3_task3",
"snapshot": "pymol",
"instruction": "在 PyMOL 中，通过 Scene 菜单将当前场景存储为名称 'my_scene'。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单栏中的 Scene。\n2. 从下拉菜单中选择 Store。\n3. 在弹出的窗口中输入 'my_scene' 作为场景名称。\n4. 点击确认按钮存储场景。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_3_task4.json Normal file
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{
"id": "MovieSchool_3_task4",
"snapshot": "pymol",
"instruction": "在 PyMOL 中，通过 Scene 菜单清除所有存储的场景。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单栏中的 Scene。\n2. 从下拉菜单中选择 Clear。\n3. 在确认对话框中点击是以清除所有场景。"
}
}

44
evaluation_examples/examples/pymol/MovieSchool_3_task5.json Normal file
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{
"id": "MovieSchool_3_task5",
"snapshot": "pymol",
"instruction": "在 PyMOL 中，通过 Mouse 菜单将鼠标模式设置为 3 Button Motions。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 点击菜单栏中的 Mouse。\n2. 从下拉菜单中选择 Edit。\n3. 在 Edit 菜单中选择 Motions。\n4. 在弹出的子菜单中选择 3 Button Motions。"
}
}

44
evaluation_examples/examples/pymol/Mutagenesis_task4.json Normal file
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{
"id": "Mutagenesis_task4",
"snapshot": "pymol",
"instruction": "解释 PyMOL Mutagenesis 工具中的颜色代码，以理解范德瓦尔斯半径重叠情况。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 打开 PyMOL 软件并加载任意结构。\n2. 通过 Wizard → Mutagenesis 打开 Mutagenesis 工具。\n3. 查看 Mutagenesis 工具中指定区域的颜色提示。\n4. 确认颜色解释：绿色表示轻微重叠，红色表示显著重叠。\n5. 使用颜色信息选择适当的操作来优化结构。"
}
}

44
evaluation_examples/examples/pymol/Practical_Pymol_for_Beginners_task6.json Normal file
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{
"id": "Practical_Pymol_for_Beginners_task6",
"snapshot": "pymol",
"instruction": "在 PyMOL 中，通过 File → Save Session 保存当前会话为 .pse 文件。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\PYMOL\\PyMOLWin.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"pymol"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 确保所有需要的对象和场景已设置好。\n2. 点击菜单栏 File → Save Session。\n3. 在弹出的窗口中命名文件并保存为 .pse 格式。\n4. 确认会话被成功保存。"
}
}

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evaluation_examples/examples/vesta/VESTA_Manual_task1.json Normal file
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{
"id": "VESTA_Manual_task1",
"snapshot": "vesta",
"instruction": "在 VESTA 中启动软件并加载结构文件 example_structure.cif。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/example_structure.cif",
"path": "C:\\Users\\user\\Desktop\\example_structure.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"example_structure.cif"
],
"steps": "1. 启动 VESTA 软件。\n2. 点击 File → Open。\n3. 在文件浏览窗口中选择 example_structure.cif 文件。\n4. 点击 Open 按钮加载文件。\n5. 确认结构已显示在视图窗口中。"
}
}

57
evaluation_examples/examples/vesta/VESTA_Manual_task10.json Normal file
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{
"id": "VESTA_Manual_task10",
"snapshot": "vesta",
"instruction": "在 VESTA 中导入 Crystallographic Information File (CIF) 并查看其对称性。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/sample.cif",
"path": "C:\\Users\\user\\Desktop\\sample.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"sample.cif"
],
"steps": "1. 启动 VESTA 软件。\n2. 点击 File → Open，打开文件浏览器。\n3. 选择 sample.cif 文件并点击 Open。\n4. 加载文件后，点击 Edit → Data。\n5. 选择 Unit Cell 标签。\n6. 查看 Symmetry 选项卡中显示的对称性信息。"
}
}

57
evaluation_examples/examples/vesta/VESTA_Manual_task11.json Normal file
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{
"id": "VESTA_Manual_task11",
"snapshot": "vesta",
"instruction": "在 VESTA 中生成 polyhedra 并调整其透明度。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/example_structure.cif",
"path": "C:\\Users\\user\\Desktop\\example_structure.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"example_structure.cif"
],
"steps": "1. 打开 VESTA 软件并加载 example_structure.vesta 文件。\n2. 点击 Edit → Properties。\n3. 在 Properties 对话框中选择 Polyhedra 标签。\n4. 勾选 Enable Polyhedra 绘图。\n5. 调整 Transparency 滑块到所需透明度值，例如 50%。\n6. 点击 OK 按钮保存设置。\n7. 验证主视图窗口中 Polyhedra 的更新显示。"
}
}

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{
"id": "VESTA_Manual_task2",
"snapshot": "vesta",
"instruction": "在 VESTA 中设置显示模式为 Ball-and-Stick，用于 example_structure.cif 文件。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/example_structure.cif",
"path": "C:\\Users\\user\\Desktop\\example_structure.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"example_structure.cif"
],
"steps": "1. 打开 VESTA 软件并加载文件 loaded_structure.vesta。\n2. 在顶部菜单中选择 View → Display Style。\n3. 在弹出的对话框中选择 Ball-and-Stick 模式。\n4. 点击 OK 按钮应用设置。\n5. 查看主视图窗口以确认显示模式已改变。"
}
}

44
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{
"id": "VESTA_Manual_task3",
"snapshot": "vesta",
"instruction": "在 VESTA 中测量当前晶体中两个原子之间的距离。",
"source": "custom",
"config": [
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [],
"steps": "1. 在 VESTA 软件中打开任何结构文件。\n2. 点击垂直工具栏中的 Measure Distance 工具。\n3. 在主视图窗口中选择两个要测量距离的原子。\n4. 在 Measure Distance 工具下确认显示两个原子之间的距离。\n5. 验证输出的距离值是否正确显示。"
}
}

57
evaluation_examples/examples/vesta/VESTA_Manual_task4.json Normal file
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{
"id": "VESTA_Manual_task4",
"snapshot": "vesta",
"instruction": "在 VESTA 中定义自定义绘图边界。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/MgB2.cif",
"path": "C:\\Users\\user\\Desktop\\MgB2.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"MgB2.cif"
],
"steps": "1. 打开 VESTA 软件并加载文件 MgB2.cif。\n2. 点击左侧侧边栏的 Objects → Boundary 按钮，打开 Boundary 对话框。\n3. 在对话框中调整范围 (x[min], x[max], y[min], y[max], z[min], z[max]) 为自定义值，例如 0 到 1。\n4. 点击 OK 或 Apply 按钮。\n5. 查看修改后的晶体绘图边界显示在主视图中。"
}
}

57
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{
"id": "VESTA_Manual_task5",
"snapshot": "vesta",
"instruction": "通过 VESTA 的 Properties 对话框调整晶体键的颜色和半径。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/xTiO2.cif",
"path": "C:\\Users\\user\\Desktop\\xTiO2.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"xTiO2.cif"
],
"steps": "1. 打开 VESTA 软件并加载 xTiO2.vesta 文件。\n2. 点击 Edit → Properties。\n3. 在对话框中导航到 Bonds 页面。\n4. 调整 Radius (cylinder) 输入框值，例如更改为 0.3。\n5. 修改颜色设置为 RGB 值 (100, 150, 200)。\n6. 点击 OK 按钮保存更改并关闭对话框。\n7. 确保更改在主视图中可见。"
}
}

57
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{
"id": "VESTA_Manual_task6",
"snapshot": "vesta",
"instruction": "在 VESTA 中切换晶体投影为 [110] 方向。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/Si.cif",
"path": "C:\\Users\\user\\Desktop\\Si.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"Si.cif"
],
"steps": "1. 打开 VESTA 软件并加载文件 Si.cif。\n2. 在顶部菜单中选择 View → Lattice Planes。\n3. 在对话框中选择 [110] 方向作为投影。\n4. 点击 OK 按钮应用更改。\n5. 确认主视图窗口中显示的是 [110] 方向的晶体投影。"
}
}

57
evaluation_examples/examples/vesta/VESTA_Manual_task7.json Normal file
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{
"id": "VESTA_Manual_task7",
"snapshot": "vesta",
"instruction": "在 VESTA 中生成晶体的二维 (2D) 投影视图。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/rutile_TiO2.cif",
"path": "C:\\Users\\user\\Desktop\\rutile_TiO2.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"rutile_TiO2.cif"
],
"steps": "1. 打开 VESTA 软件并加载 rutile_TiO2.cif 文件。\n2. 在顶部菜单中选择 File → Export → 2D Image。\n3. 在弹出的对话框中设置输出格式为 PNG，并选择合适的分辨率 (例如 300 dpi)。\n4. 设置保存路径为桌面并命名文件为 projection.png。\n5. 点击 Save 以导出图像。\n6. 验证桌面的 PNG 文件是否正确生成。"
}
}

57
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{
"id": "VESTA_Manual_task8",
"snapshot": "vesta",
"instruction": "在 VESTA 中查看倒易晶格的详细几何参数。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/YBa2Cu3O7.cif",
"path": "C:\\Users\\user\\Desktop\\YBa2Cu3O7.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"YBa2Cu3O7.cif"
],
"steps": "1. 打开 VESTA 软件并加载文件 YBa2Cu3O7.vesta。\n2. 在顶部菜单中选择 Edit → Data → Reciprocal Lattice Parameters。\n3. 查看弹出的对话框中的倒易晶格详细数据。\n4. 点击 OK 关闭对话框。\n5. 验证数据是否已在 Text Area 中正确显示。"
}
}

57
evaluation_examples/examples/vesta/VESTA_Manual_task9.json Normal file
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{
"id": "VESTA_Manual_task9",
"snapshot": "vesta",
"instruction": "在 VESTA 中使用 Fourier Synthesis 生成电子密度图。",
"source": "custom",
"config": [
{
"type": "upload_file",
"parameters": {
"files": [
{
"local_path": "evaluation_examples/data/vesta/monazite.cif",
"path": "C:\\Users\\user\\Desktop\\monazite.cif"
}
]
}
},
{
"type": "launch",
"parameters": {
"command": [
"C:\\VESTA-win64\\VESTA.exe"
]
}
},
{
"type": "sleep",
"parameters": {
"seconds": 5
}
}
],
"trajectory": "trajectories/",
"related_apps": [
"vesta"
],
"evaluator": {
"postconfig": [
{
"type": "sleep",
"parameters": {
"seconds": 3
}
}
],
"func": "vllm_eval"
},
"proxy": false,
"fixed_ip": false,
"possibility_of_env_change": "low",
"metadata": {
"input_files": [
"monazite.cif"
],
"steps": "1. 打开 VESTA 软件并加载文件 monazite.vesta。\n2. 在顶部菜单中选择 Utilities → Fourier Synthesis。\n3. 在弹出的对话框中设置分辨率值为 0.05。\n4. 点击 Calculate 按钮开始生成电子密度图。\n5. 验证生成的图形是否出现在主视图中。"
}
}