lizhanyuan
9899d4a0c7
- 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
57 lines
1.3 KiB
JSON
57 lines
1.3 KiB
JSON
{
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"id": "VESTA_Manual_task9",
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"snapshot": "vesta",
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"instruction": "在 VESTA 中使用 Fourier Synthesis 生成电子密度图。",
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"source": "custom",
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"config": [
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{
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"type": "upload_file",
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"parameters": {
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"files": [
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{
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"local_path": "evaluation_examples/data/vesta/monazite.cif",
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"path": "C:\\Users\\user\\Desktop\\monazite.cif"
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}
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]
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}
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},
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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:\\VESTA-win64\\VESTA.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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"vesta"
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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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"monazite.cif"
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],
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"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。"
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}
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} |