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rdkit

85 / 100 · Low risk

Fine to try.

By plurigrid/asi (GitHub) · other · 72 stars · scanned at commit 293ce9f

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 datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.

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/'rdkit' ] || [ -L ~/.agents/skills/'rdkit' ]; then echo 'A skill folder named rdkit already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/plurigrid/asi' "$d" && git -C "$d" checkout --quiet '293ce9f76e3abcd5ba18db284688bc0d9ac6691d' -- 'skills/rdkit' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills/rdkit' ~/.agents/skills/'rdkit' && 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/'rdkit' ~/.claude/skills/'rdkit' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

Badge for your README

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Score history