data: 新增 jade/avogadro/ovito/pymol 评测任务数据

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2026-03-04 10:43:29 +08:00
parent ac3f38ed58
commit b1052c79cf
34 changed files with 1584 additions and 0 deletions

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{
"id": "using-qtaim-and-wfn_task2",
"snapshot": "avogadro",
"instruction": "在 Avogadro 中,通过调整 Display Types 面板开启 QTAIM 视图并关闭球棍模型,以便突出显示键临界点。",
"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. 在软件主界面中,找到标有 \"Display Types\" 的面板区域。\n2. 在 \"Display Types\" 面板的选项列表中,滚动查找并定位到标有 \"QTAIM\" 的选项。\n3. 单击 \"QTAIM\" 选项左侧的复选框,确保其处于被勾选状态。\n4. 在同一个 \"Display Types\" 面板的选项列表中,滚动查找并定位到标有 \"Ball and Stick\" 的选项。\n5. 单击 \"Ball and Stick\" 选项左侧的复选框,将其取消勾选。",
"steps_original": "1. 定位到软件界面中的 Display Types显示类型面板\n2. 在列表中找到 QTAIM 选项,并勾选其左侧的复选框\n3. 在同一列表中找到 Ball and Stick 选项\n4. 取消勾选 Ball and Stick 的复选框以隐藏经典模型"
}
}