data: 新增 jade/avogadro/ovito/pymol 评测任务数据
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{
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"id": "using-qtaim-and-wfn_task1",
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"snapshot": "avogadro",
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"instruction": "在 Avogadro 中,使用 QTAIM 插件的 Molecular Graph with Lone Pairs 功能打开 b2h6.wfn 文件。",
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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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"b2h6.wfn"
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],
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"steps": "1. 单击顶部菜单栏中的 \"Extensions\" 菜单项\n2. 将鼠标悬停在弹出的下拉菜单中的 \"QTAIM\" 菜单项上以展开子菜单\n3. 单击展开的子菜单中的 \"Molecular Graph with Lone Pairs...\" 菜单项\n4. 在弹出的文件选择窗口的文件列表中,单击选中名为 \"b2h6.wfn\" 的文件项\n5. 单击文件选择窗口右下角的 \"Open\" 按钮",
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"steps_original": "1. 点击顶部菜单栏的 Extensions\n2. 在下拉菜单中悬停于 QTAIM 以展开子菜单\n3. 点击选择 Molecular Graph with Lone Pairs...\n4. 在弹出的文件选择窗口中,找到并选中 b2h6.wfn 文件\n5. 点击 Open 按钮加载文件并启动分析"
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}
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}
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