rxn.chemutils.smiles_randomization

Functions

randomize_smiles_restricted(smiles)

Randomize a SMILES string in a restricted fashion.

randomize_smiles_rotated(smiles[, ...])

Randomize a SMILES string by doing a cyclic rotation of the atomic indices.

randomize_smiles_unrestricted(smiles)

Randomize a SMILES string in an unrestricted fashion.