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rdkit

80 / 100 · Low risk

Fine to try. Some of what it can do is expected: a coding skill usually runs build and test commands.

By hashgraph-online/awesome-codex-plugins (GitHub) · coding · 1,568 stars · scanned at commit 3e1e6b2

Guides use of RDKit (Python) for reading and writing SMILES, MOL/SDF, and InChI, computing descriptors (MW, LogP, TPSA), generating Morgan/MACCS/atom-pair fingerprints, running SMARTS substructure searches, applying reaction SMARTS, and building 2D/3D coordinates with ETKDG. Use when parsing or sanitizing molecules that fail default sanitization, calculating Tanimoto similarity or clustering compounds, filtering libraries by substructure, embedding and optimizing conformers, or computing Murcko…

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=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/hashgraph-online/awesome-codex-plugins' "$d" && git -C "$d" checkout --quiet '3e1e6b20ffc28f42923e391f29f075c424e19e64' -- 'plugins/KalarisLabs/research-agent-skills/skills/rdkit' && mkdir -p ~/.agents/skills && cp -R "$d"/'plugins/KalarisLabs/research-agent-skills/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.

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