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.
Installation
SKILL.md
RDKit is a comprehensive cheminformatics library providing Python APIs for molecular analysis and manipulation. This skill provides guidance for reading/writing molecular structures, calculating descriptors, fingerprinting, substructure searching, chemical reactions, 2D/3D coordinate generation, and molecular visualization. Use this skill for drug discovery, computational chemistry, and cheminformatics research ta...
RDKit automatically sanitizes molecules during parsing, executing 13 steps including valence checking, aromaticity perception, and chirality assignment.
Load these references when needing specific API details, parameter information, or pattern examples.
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. Source: ovachiever/droid-tings.
Facts (cite-ready)
Stable fields and commands for AI/search citations.
- Install command
npx skills add https://github.com/ovachiever/droid-tings --skill rdkit- Source
- ovachiever/droid-tings
- Category
- </>Dev Tools
- Verified
- ✓
- First Seen
- 2026-02-01
- Updated
- 2026-02-18
Quick answers
What is 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. Source: ovachiever/droid-tings.
How do I install rdkit?
Open your terminal or command line tool (Terminal, iTerm, Windows Terminal, etc.) Copy and run this command: npx skills add https://github.com/ovachiever/droid-tings --skill rdkit Once installed, the skill will be automatically configured in your AI coding environment and ready to use in Claude Code or Cursor
Where is the source repository?
https://github.com/ovachiever/droid-tings
Details
- Category
- </>Dev Tools
- Source
- skills.sh
- First Seen
- 2026-02-01