sk Skill · dralkh
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.
Open on skills.sh ↗read 2026-09-17
- installs 8w
- 0
- 30-day movement
- starts with the next reading
- Related entries
- 6
- Connections
- 4
pythonbashTypeScript
- Host repository
- dralkh/iktinah
- Version
- 1.1
- Allowed tools
- Read, Write, Edit, Bash
- Compatible with
- `rdkit-pypi` is the legacy PyPI name.
- Licence
- BSD-3-Clause license
- Host stars
- 78
- Host language
- TypeScript