lizhanyuan
2836981670
- 删除无法稳定复现的 building-organic-molecules_task4 和 using-qtaim-and-wfn_task2 - naming-a-molecule_task1 / viewing-electrostatic-potential_task1 新增 upload_file 步骤，补全 input_files 并修正菜单路径 - building-metal-complexes_task7 修正 steps 重复步骤编号 - test_final.json 移除已删任务，新增 jade9 section
57 lines
1.5 KiB
JSON
57 lines
1.5 KiB
JSON
{
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"id": "viewing-electrostatic-potential_task1",
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"snapshot": "avogadro",
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"instruction": "在 Avogadro 中通过 Analyze → 创建表面...菜单创建 Van der Waals 表面并设置电荷分布可视化，计算完成后关闭对话框。",
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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/avogadro/ethanol.sdf",
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"path": "C:\\Users\\user\\Desktop\\ethanol.sdf"
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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:\\Avogadro2\\bin\\avogadro2.exe",
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"C:\\Users\\user\\Desktop\\ethanol.sdf"
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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": ["ethanol.sdf"],
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"steps_original": "1. 单击菜单栏 'Analyze' → '创建表面...'。\n2. 在弹出的对话框中确认表面设置为 'Van der Waals'。\n3. 将 '着色按' 设置为 '静电势'。\n4. 根据可用选项设置色阶。\n5. 单击 '计算' 按钮开始计算，完成后单击 '关闭'。"
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}
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}
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