molecular-docking-autodock实现分子对接全流程自动化，支持输入蛋白结构文件（PDB格式）、小分子SMILES表达式、口袋位置描述（文本描述或坐标范围），输出对接后打分最高的复合物结构及对接打分结果，默认使用AutoDock VINA算法。使用场景：用户需要进行蛋白-小分子对接预测结合模式、筛选小分子配体、获取对接复合物结构时触发。
Install via ClawdBot CLI:
clawdbot install supertiefeng/molecular-docking-autodockGrade Fair — based on market validation, documentation quality, package completeness, maintenance status, and authenticity signals.
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Scored May 30, 2026
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