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research
Comprehensive research using web data with citations for multi-source synthesis, comparisons, current events, market analysis, and detailed
🔬Research
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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.
#data-analysis#machine-learning#cheminformatics#drug-discovery#python#rdkit
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Repositorydavila7/claude-code-templates
Stars22,267
Last UpdatedMar 7, 2026
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