@k-dense-ai/datamol
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.
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Everything this skill can do — files, network, commands, and more.
No demos yet. To add one, ask your AI agent: "Submit a demo for @k-dense-ai/datamol" — or upload via the API.
To add a demo, ask your AI agent: "Submit a demo for @k-dense-ai/datamol"
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