COSMolKit PythonΒΆ
COSMolKit is a Python package for molecule graph workflows, SMILES/SDF IO, coordinate access, molecule depiction, and high-throughput batch processing.
Important API model: COSMolKit uses copy-on-write (COW) molecule values.
Transform methods return new Molecule objects and do not mutate the
original object in place. This differs from common RDKit Python workflows where
code often updates an existing molecule or RWMol directly.