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datamol

80 / 100 · Low risk

Fine to try.

By lifangda/claude-plugins (GitHub) · other · 43 stars · scanned at commit 76d90e8

Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.

Works with any agent that supports SKILL.md skills.

What this skill can do

Install

Paste this into your terminal. It downloads exactly the version we scanned, not whatever is newest.

if [ -e ~/.agents/skills/'datamol' ] || [ -L ~/.agents/skills/'datamol' ]; then echo 'A skill folder named datamol already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/lifangda/claude-plugins' "$d" && git -C "$d" checkout --quiet '76d90e8304f792a3c98ddd4172ec7ec59b1e656f' -- 'cli-tool/skills-library/scientific-computing/cheminformatics/datamol' && mkdir -p ~/.agents/skills && cp -R "$d"/'cli-tool/skills-library/scientific-computing/cheminformatics/datamol' ~/.agents/skills/'datamol' && rm -rf "$d"; fi

Codex reads ~/.agents/skills directly. For Claude Code, Cursor, Copilot, Gemini CLI, Antigravity or OpenCode, also link it. For Claude Code: ln -s ~/.agents/skills/'datamol' ~/.claude/skills/'datamol' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

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