Provides the RDKit cheminformatics toolkit for low-level, fine-grained molecular primitives — SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure/SMARTS search, 2D/3D coordinate generation, similarity, and reaction handling.
安装
npx skills add AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-rdkitnpx skills add AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-rdkit -a claude-code -gnpx skills add AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-rdkit -a codex -ggemini skills install https://github.com/AlterLab-IEU/AlterLab-Academic-Skills.git --path skills/cheminformatics/alterlab-rdkitgh skill install AlterLab-IEU/AlterLab-Academic-Skills alterlab-rdkitgit clone --depth 1 https://github.com/AlterLab-IEU/AlterLab-Academic-Skills /tmp/AlterLab-IEU__AlterLab-Academic-Skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/AlterLab-IEU__AlterLab-Academic-Skills/skills/cheminformatics/alterlab-rdkit ~/.claude/skills/alterlab-rdkit # Claude Code
cp -R /tmp/AlterLab-IEU__AlterLab-Academic-Skills/skills/cheminformatics/alterlab-rdkit ~/.agents/skills/alterlab-rdkit # Codex, Cursor, Gemini CLI, Copilot, OpenCode