Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use …
安装方式：打开 GenHub 客户端 → 技能市场 → 搜索「rdkit」→ 一键安装。
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