rxn.reaction_preprocessing.annotations.molecule_annotation

Functions

load_annotations(json_file)

Load the molecule annotations from a JSON file.

load_annotations_multiple(json_files)

Load the molecule annotations from multiple JSON files.

Classes

AnnotationDecision(value)

An enumeration.

MoleculeAnnotation(original_smiles, ...)

Specifies a molecule annotation, i.e. a SMILES string that may have an updated SMILES, whether to keep it or not, etc.