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."
Third-Party Agent Skill: Review the code before installing. Agent skills execute in your AI assistant's environment and can access your files. Learn more about security
Installation for Agentic Skill
View all platforms →skilz install davila7/claude-code-templates/rdkitskilz install davila7/claude-code-templates/rdkit --agent opencodeskilz install davila7/claude-code-templates/rdkit --agent codexskilz install davila7/claude-code-templates/rdkit --agent geminiFirst time? Install Skilz: pip install skilz
Works with 22+ AI coding assistants
Cursor, Aider, Copilot, Windsurf, Qwen, Kimi, and more...
Extract and copy to ~/.claude/skills/ then restart Claude Desktop
git clone https://github.com/davila7/claude-code-templatescp -r claude-code-templates/cli-tool/components/skills/scientific/rdkit ~/.claude/skills/Need detailed installation help? Check our platform-specific guides:
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Agentic Skill Details
- Repository
- claude-code-templates
- Type
- Non-Technical
- Meta-Domain
- general
- Primary Domain
- general
- Sub-Domain
- database schema query
- Market Score
- 36
Browse Category
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