rxn.chemutils

Modules

rxn.chemutils.conversion

rxn.chemutils.exceptions

rxn.chemutils.extended_reaction_smiles

rxn.chemutils.miscellaneous

rxn.chemutils.multicomponent_smiles

Utilities related to "multi-component SMILES", i.e. strings containing multiple compounds in SMILES notation, which may include fragment bonds.

rxn.chemutils.rdf

rxn.chemutils.rdkit_utils

rxn.chemutils.reaction_combiner

rxn.chemutils.reaction_equation

rxn.chemutils.reaction_smiles

Functionality to handle different kinds of reaction SMILES with the same functions.

rxn.chemutils.scripts

rxn.chemutils.smiles_augmenter

rxn.chemutils.smiles_randomization

rxn.chemutils.smiles_standardization

rxn.chemutils.tokenization

rxn.chemutils.utils

Simple utilities not involving RDKit.