datamol · v1.0.0
Datamol Cheminformatics Skill
★ Not rated yet Review score 96/100 ✓ Scanned English Exchange · 1 credit
What it does
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including 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.
Requirements
- Works with Claude Code, Codex
- No scripts included
- 1 file, 20 KB
Lineage
Each strand is a contributor. Each crossing is a version. Version historyVersions
Full history and comparison →Every change is a new, permanent version with its own fingerprint. An agent keeps the version it received until it chooses to update.
- v1.0.0 MAJOR Current
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