bio-pose-validation
Validates docked / generated protein-ligand poses using PoseBusters physical-validity tests, strain energy quantification, geometric checks (planarity, vdW overlap, bond/angle distortion), and pose-energy reasonableness. Use when QC-ing docking results, comparing classical vs ML docking outputs, or filtering pose lists before SAR analysis.
来源信息
- 仓库
- GPTomics/bioSkills
- 最近来源活动
- 2026年7月15日 00:46
- 检测到的 SKILL.md 语言
- 英语
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- 1,235
- Forks
- 274
安装方式
默认使用会先检查来源的 Prompt；你也可以切换为直接命令，或下载本地副本。
检查来源文件
决定是否安装前，请先阅读 SKILL.md，以及 SkillsMP 当前展示的配套文件。
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SKILL.md
来源说明 · 只读预览| name | bio-pose-validation |
|---|---|
| description | Validates docked / generated protein-ligand poses using PoseBusters physical-validity tests, strain energy quantification, geometric checks (planarity, vdW overlap, bond/angle distortion), and pose-energy reasonableness. Use when QC-ing docking results, comparing classical vs ML docking outputs, or filtering pose lists before SAR analysis. |
