Index

_

__init__() (molpred.data.column_specifier.ColumnSpecifier method) (molpred.data.features_and_targets.FeaturesAndTargets method) (molpred.data.inchi_loader.InChILoader method) (molpred.model.base.ModelBase method) (molpred.plot.CategoryCounter method)

A

array (molpred.plot.CategoryCounter property)

B

balanced_train_test_split() (in module molpred.data.train_test_split) bin_targets() (in module molpred.data.features_and_targets)

BINARY_CLASSIFIER (molpred.model.base.ModelType attribute) binned_data (molpred.data.features_and_targets.FeaturesAndTargets property) binned_targets (molpred.data.features_and_targets.FeaturesAndTargets property)

C

caching_class() (in module molpred.decorators) caching_method() (in module molpred.decorators) categoric_names (molpred.data.column_specifier.ColumnSpecifier property) CategoryCounter (class in molpred.plot) CLASSIFIER (molpred.model.base.ModelType attribute)

clear_caches() (molpred.model.base.ModelBase method) columns (molpred.data.features_and_targets.FeaturesAndTargets property) ColumnSpecifier (class in molpred.data.column_specifier) config_get() (molpred.model.base.ModelBase method) config_get_container() (molpred.model.base.ModelBase method) counts (molpred.plot.CategoryCounter property)

D

data (molpred.data.features_and_targets.FeaturesAndTargets property)

F

feature_names (molpred.data.features_and_targets.FeaturesAndTargets property) features (molpred.data.column_specifier.ColumnSpecifier property) (molpred.data.features_and_targets.FeaturesAndTargets property)

features_and_targets (molpred.data.column_specifier.ColumnSpecifier property) (molpred.data.features_and_targets.FeaturesAndTargets property) FeaturesAndTargets (class in molpred.data.features_and_targets)

G

get_model_class() (in module molpred.model.base) get_scorer() (in module molpred.model.scoring)

get_train_test_split_paths() (in module molpred.data.train_test_split) group_names_by_prefix() (in module molpred.plot) group_numeric_and_categoric() (in module molpred.plot)

I

image_subdirectory (molpred.model.base.ModelBase property) import_models() (in module molpred.model.base) InChILoader (class in molpred.data.inchi_loader) inchis (molpred.data.inchi_loader.InChILoader property)

initialize() (molpred.model.base.ModelBase method) is_categoric() (molpred.data.column_specifier.ColumnSpecifier method) is_feature() (molpred.data.column_specifier.ColumnSpecifier method) is_numeric() (molpred.data.column_specifier.ColumnSpecifier method) is_target() (molpred.data.column_specifier.ColumnSpecifier method)

J

join() (molpred.data.inchi_loader.InChILoader method)

L

load() (molpred.model.base.ModelBase method)

M

missing_or_older() (in module molpred.data.common) MODEL_EXT (molpred.model.base.ModelBase attribute) ModelBase (class in molpred.model.base) ModelType (class in molpred.model.base) module molpred molpred.data molpred.data.column_specifier molpred.data.common molpred.data.features_and_targets molpred.data.inchi_loader molpred.data.train_test_split molpred.decorators molpred.model molpred.model.base molpred.model.scoring molpred.plot molpred module molpred.data module

molpred.data.column_specifier module molpred.data.common module molpred.data.features_and_targets module molpred.data.inchi_loader module molpred.data.train_test_split module molpred.decorators module molpred.model module molpred.model.base module molpred.model.scoring module molpred.plot module mtime (molpred.data.inchi_loader.InChILoader property)

N

n_targets (molpred.data.features_and_targets.FeaturesAndTargets property)

names (molpred.data.column_specifier.ColumnSpecifier property) numeric_names (molpred.data.column_specifier.ColumnSpecifier property)

O

OTHER (molpred.model.base.ModelType attribute)

P

param_get() (molpred.model.base.ModelBase method) param_get_container() (molpred.model.base.ModelBase method) plot() (molpred.plot.CategoryCounter method) plot_features() (in module molpred.plot)

plot_numeric_features() (in module molpred.plot) plot_text() (in module molpred.plot) predict() (molpred.model.base.ModelBase method) predict_proba() (molpred.model.base.ModelBase method)

R

register() (molpred.model.base.ModelBase class method) register_scorer() (in module molpred.model.scoring)

register_transformer() (molpred.data.inchi_loader.InChILoader class method) REGRESSOR (molpred.model.base.ModelType attribute)

S

save() (molpred.model.base.ModelBase method)

score_predictions() (molpred.model.base.ModelBase method)

T

tag_path() (in module molpred.data.common) target_names (molpred.data.features_and_targets.FeaturesAndTargets property) targets (molpred.data.column_specifier.ColumnSpecifier property) (molpred.data.features_and_targets.FeaturesAndTargets property)

train() (molpred.model.base.ModelBase method) TRANSFORMERS (molpred.data.inchi_loader.InChILoader attribute)

V

visualize_data() (molpred.model.base.ModelBase method)

visualize_prediction_metrics() (molpred.model.base.ModelBase method)

W

with_model_file_ext() (molpred.model.base.ModelBase class method)