Datamol

Datamol provides a clean, Pythonic layer over RDKit, making common tasks — sanitization, standardization, scaffold analysis, parallelized processing — concise and readable.

Example

1import datamol as dm
2mol = dm.to_mol("O=C(C)Oc1ccccc1C(=O)O")
3clean = dm.sanitize_mol(mol)
4print(dm.to_smiles(clean))
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