datamol
Skill for Datamol, a Pythonic wrapper around RDKit for molecule handling.
About
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.
At a glance
- Category
- Science and academic research Chemistry
- Made for
- Developers
- Pricing
- Free
- Access
- No sign-in
Category, summary and these details are StealthStack's reading of the publisher's own listing. Check the publisher's page before you rely on them.
Capabilities
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Provenance
- Discovered
- Relayed by github
- Identifier
- urn:air:github.com:k-dense-ai:scientific-agent-skills:datamol
- Catalog host
- github.com · via github registry
- Anchor check
- Not anchored
- Last crawled
- seen 8d ago
Discovered through github.com's registry, not anchored by StealthStack. We relay the listing as-is; we have not checked that the URN authority matches the publishing host. How trust works →