rdkit

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.

v1.0.0New

Signing

SignedSLSA L2

Signed by: skills-hub.ai distributor
Method: Distributor-signed by skills-hub.aiCryptographically signed by the skills-hub.ai distributor key at publish time.
Signed: May 3, 2026, 2:14 AM

Install this skill

Run this command in your terminal. No account required — it auto-detects your AI tool and installs the skill file.

npx @skills-hub-ai/cli install openclaw-medical-rdkit

Or download directly:

Browse all CLI commands →

Setup by platform

Claude Code

~/.claude/skills/<skill>/SKILL.md

Setup guide →

Install

One-click setup for your editor

Run in your project root

npx @skills-hub-ai/cli install openclaw-medical-rdkit --target claude-code

rdkit

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