Index

_

__init__() (rxn.metrics.context_metrics.ContextMetrics method) (rxn.metrics.forward_metrics.ForwardMetrics method) (rxn.metrics.metrics_calculator.MetricsCalculator method) (rxn.metrics.metrics_files.ContextFiles method) (rxn.metrics.metrics_files.ForwardFiles method) (rxn.metrics.metrics_files.MetricsFiles method) (rxn.metrics.metrics_files.RetroFiles method) (rxn.metrics.retro_metrics.RetroMetrics method)

C

class_diversity() (in module rxn.metrics.metrics) classification_file_is_tokenized() (in module rxn.metrics.tokenize_file) classification_string_is_tokenized() (in module rxn.metrics.tokenize_file) classification_translation() (in module rxn.metrics.classification_translation) combine_precursors_and_products() (in module rxn.metrics.utils)

combine_precursors_and_products_from_files() (in module rxn.metrics.utils) ContextFiles (class in rxn.metrics.metrics_files) ContextMetrics (class in rxn.metrics.context_metrics) convert_class_token_idx_for_translation_models() (in module rxn.metrics.class_tokens) coverage() (in module rxn.metrics.metrics) create_rxn_from_files() (in module rxn.metrics.classification_translation)

D

detokenize_class() (in module rxn.metrics.tokenize_file)

detokenize_class_line() (in module rxn.metrics.tokenize_file) detokenize_classification_file() (in module rxn.metrics.tokenize_file)

E

ensure_data_dimension() (in module rxn.metrics.scripts.ensure_data_dimension)

evaluate_metrics() (in module rxn.metrics.run_metrics)

F

ForwardFiles (class in rxn.metrics.metrics_files) ForwardMetrics (class in rxn.metrics.forward_metrics) fraction_of_identical_compounds() (in module rxn.metrics.context_metrics)

from_metrics_files() (rxn.metrics.context_metrics.ContextMetrics class method) (rxn.metrics.forward_metrics.ForwardMetrics class method) (rxn.metrics.metrics_calculator.MetricsCalculator class method) (rxn.metrics.retro_metrics.RetroMetrics class method)

G

get_metric_from_dir() (in module rxn.metrics.scripts.parse_metrics_into_csv) get_metrics() (rxn.metrics.context_metrics.ContextMetrics method) (rxn.metrics.forward_metrics.ForwardMetrics method) (rxn.metrics.metrics_calculator.MetricsCalculator method) (rxn.metrics.retro_metrics.RetroMetrics method)

get_metrics_calculator() (in module rxn.metrics.run_metrics) get_metrics_files() (in module rxn.metrics.run_metrics) get_sequence_multiplier() (in module rxn.metrics.utils) get_standardized_true_reactants() (in module rxn.metrics.true_reactant_accuracy)

I

identical_fraction() (in module rxn.metrics.context_metrics)

J

join_data_files() (in module rxn.metrics.scripts.join_data_files)

M

maybe_classify_predictions() (in module rxn.metrics.classification_translation) maybe_determine_true_reactants() (in module rxn.metrics.true_reactant_accuracy) maybe_prepare_class_token_files() (in module rxn.metrics.class_tokens) MetricsCalculator (class in rxn.metrics.metrics_calculator) MetricsFiles (class in rxn.metrics.metrics_files) module rxn.metrics rxn.metrics.class_tokens rxn.metrics.classification_translation rxn.metrics.context_metrics rxn.metrics.forward_metrics rxn.metrics.metrics rxn.metrics.metrics_calculator rxn.metrics.metrics_files rxn.metrics.retro_metrics rxn.metrics.run_metrics rxn.metrics.scripts rxn.metrics.scripts.ensure_data_dimension rxn.metrics.scripts.join_data_files rxn.metrics.scripts.parse_metrics_into_csv rxn.metrics.scripts.prepare_context_metrics rxn.metrics.scripts.prepare_forward_metrics rxn.metrics.scripts.prepare_retro_metrics rxn.metrics.scripts.reorder_retro_predictions_class_token rxn.metrics.scripts.rxn_evaluate_metrics rxn.metrics.tokenize_file rxn.metrics.true_reactant_accuracy rxn.metrics.utils

R

reorder_retro_predictions_class_token() (in module rxn.metrics.scripts.reorder_retro_predictions_class_token) reordered() (rxn.metrics.metrics_files.RetroFiles static method) RetroFiles (class in rxn.metrics.metrics_files) RetroMetrics (class in rxn.metrics.retro_metrics) round_trip_accuracy() (in module rxn.metrics.metrics) run_model_for_metrics() (in module rxn.metrics.run_metrics) rxn.metrics module rxn.metrics.class_tokens module rxn.metrics.classification_translation module rxn.metrics.context_metrics module rxn.metrics.forward_metrics module rxn.metrics.metrics module rxn.metrics.metrics_calculator module rxn.metrics.metrics_files module rxn.metrics.retro_metrics module rxn.metrics.run_metrics module

rxn.metrics.scripts module rxn.metrics.scripts.ensure_data_dimension module rxn.metrics.scripts.join_data_files module rxn.metrics.scripts.parse_metrics_into_csv module rxn.metrics.scripts.prepare_context_metrics module rxn.metrics.scripts.prepare_forward_metrics module rxn.metrics.scripts.prepare_retro_metrics module rxn.metrics.scripts.reorder_retro_predictions_class_token module rxn.metrics.scripts.rxn_evaluate_metrics module rxn.metrics.tokenize_file module rxn.metrics.true_reactant_accuracy module rxn.metrics.utils module

S

sorted_chunk_directories() (in module rxn.metrics.scripts.join_data_files)

T

tokenize_class() (in module rxn.metrics.tokenize_file) tokenize_class_line() (in module rxn.metrics.tokenize_file) tokenize_classification_file() (in module rxn.metrics.tokenize_file)

top_n_accuracy() (in module rxn.metrics.metrics) true_reactant_accuracy() (in module rxn.metrics.true_reactant_accuracy) true_reactant_environment_check() (in module rxn.metrics.true_reactant_accuracy)