Data Science & Analytics
Datamol
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
- Publisher / source
- davila7/claude-code-templates (found on skills.sh)
- Upstream record
- davila7/claude-code-templates
- Version
- Version 2
- Published
- Publication review
- Approved for publication
- Content fingerprint
521f036df70f213bb14e87af54b63b1f107661ec3f1db0cdaee8f03bfe1eb1f0