rxn.metrics.true_reactant_accuracy

Functions

get_standardized_true_reactants(...)

Get the reactants that contribute atoms to the product, and standardize them.

maybe_determine_true_reactants(...)

param do_reactant_check

true_reactant_accuracy(ground_truth_mapped, ...)

Compute the top-n "true reactant" accuracy values (i.e.

true_reactant_environment_check(...)

Make sure that the Python packages required for the determination of true reactants are available (if applicable).