Datamol Cheminformatics

Quality score: 70/100 · Category: Dev Tools · Sub-category: scaffolders

type:generator

Pythonic RDKit wrapper with sensible defaults for drug discovery. SMILES parsing, standardization, descriptors, fingerprints, similarity, clustering, diversity selection, scaffold analysis, BRICS/RECAP fragmentation, 3D conformers, and visualization. Returns native rdkit.Chem.Mol. Prefer datamol for standard workflows; use RDKit directly for advanced control.

What this skill does

Datamol Cheminformatics is a production-ready Claude Code skill (quality score 70/100) in the scaffolders sub-category. It ships as a SKILL.md file that Claude Code auto-discovers under ~/.claude/skills/datamol-cheminformatics/ and loads when your prompt matches the skill's trigger.

Who uses this skill

The Datamol Cheminformatics skill is built for developers, power users, and teams automating repetitive workflows and improving developer experience. It is part of the open ClaudSkills registry, a community-curated catalog of 15,000+ capabilities you can install for Claude Code — the Claude CLI agent.

How to install

Free

Manual install (2 steps)

mkdir -p ~/.claude/skills/datamol-cheminformatics
curl -L https://claudskills.com/skills/datamol-cheminformatics/SKILL.md \
  -o ~/.claude/skills/datamol-cheminformatics/SKILL.md

Or just download SKILL.md directly and drop it into ~/.claude/skills/datamol-cheminformatics/. Claude Code auto-discovers it on next session.

Skills live at ~/.claude/skills/datamol-cheminformatics/SKILL.md on macOS/Linux, or %USERPROFILE%\.claude\skills\datamol-cheminformatics\SKILL.md on Windows. See the full install guide for step-by-step instructions.

Pro

One-click install via the desktop app

The ClaudSkills desktop app installs any skill directly into ~/.claude/skills/ with one click — no terminal required. Pro starts at $9/mo or $149 lifetime.

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Part of ClaudSkills — the open registry for Claude Code skills. · What's New · Install guide · About · llms.txt

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