rxn.metrics.utils

Functions

combine_precursors_and_products(precursors, ...)

Combine two matching iterables of precursors/products into an iterator of reaction SMILES.

combine_precursors_and_products_from_files(...)

Combine the precursors file and the products file into an iterator of reaction SMILES.

get_sequence_multiplier(ground_truth, ...)

Get the multiplier for the number of predictions by ground truth sample.