- 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
44 lines
1.4 KiB
JSON
44 lines
1.4 KiB
JSON
{
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"id": "building-metal-complexes_task7",
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"snapshot": "avogadro",
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"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。",
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"source": "custom",
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"config": [
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{
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"type": "launch",
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"parameters": {
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"command": [
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"C:\\Avogadro2\\bin\\avogadro2.exe"
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]
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}
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},
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{
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"type": "sleep",
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"parameters": {
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"seconds": 5
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}
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}
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],
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"trajectory": "trajectories/",
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"related_apps": [
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"avogadro"
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],
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"evaluator": {
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"postconfig": [
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{
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"type": "sleep",
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"parameters": {
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"seconds": 3
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}
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}
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],
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"func": "vllm_eval"
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},
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"proxy": false,
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"fixed_ip": false,
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"possibility_of_env_change": "low",
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"metadata": {
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"input_files": [],
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"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。"
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}
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} |