rxn.metrics.context_metrics

Functions

fraction_of_identical_compounds(...)	Compute the fraction of identical compounds, split by n-th predictions.
identical_fraction(ground_truth, prediction)	For context prediction models, fraction of compounds that are identical to the ground truth.

Classes

ContextMetrics(gt_tgt, predicted_context)

Class to compute common metrics for context prediction models, starting from files containing the ground truth and predictions.