Index

B

basic_layout() (carate.logging.metrics_logger.MetricsLogger method)

C

carate module carate.cli module carate.cli.automate module carate.config_adapter module carate.config_adapter.config module carate.default_interface module carate.evaluation module carate.evaluation.base module carate.evaluation.classification module carate.evaluation.classification_whole_dataset module carate.evaluation.regression module carate.loader module carate.loader.load_data module carate.logging module carate.logging.metrics_logger module carate.main module carate.models module carate.models.base_model module carate.models.cc_classification module carate.models.cc_regression module carate.models.cgc_classification module carate.models.cgc_classification_jax module carate.models.cgc_regression module carate.models.cgc_regression_jax module

carate.models.g_classification module carate.models.g_regression module carate.models.gatv2_classification module carate.models.gatv2_regression module carate.models.gcc_classification module carate.models.gcc_regression module carate.models.graph_transformer_classification module carate.models.graph_transformer_regression module carate.optimizer module carate.optimizer.optimizer module carate.plotting module carate.plotting.base_plots module carate.plotting.multi_run module carate.runner module carate.runner.run module carate.statistics module carate.statistics.analysis module carate.utils module carate.utils.convert_to_json module carate.utils.model_files module carate.utils.training_result_parser module ClassificationEvaluation (class in carate.evaluation.classification) close_logger() (carate.logging.metrics_logger.MetricsLogger method) Config (class in carate.config_adapter.config) ConfigInitializer (class in carate.config_adapter.config) convert_py_to_json() (in module carate.utils.convert_to_json) cv() (carate.evaluation.base.Evaluation method) (carate.evaluation.regression.RegressionEvaluation method)

D

DataSet (carate.loader.load_data.StandardDatasetMoleculeNet attribute) (carate.loader.load_data.StandardDatasetTUDataset attribute) (carate.loader.load_data.StandardPytorchGeometricDataset attribute)

DatasetObject (class in carate.loader.load_data) DefaultObject (class in carate.default_interface)

E

Evaluation (class in carate.evaluation.base)

EvaluationMap (in module carate.config_adapter.config)

F

forward() (carate.models.base_model.Model method) (carate.models.cc_classification.Net method) (carate.models.cc_regression.Net method) (carate.models.cgc_classification.Net method) (carate.models.cgc_regression.Net method) (carate.models.g_classification.Net method) (carate.models.g_regression.Net method) (carate.models.gatv2_classification.Net method) (carate.models.gatv2_regression.Net method) (carate.models.gcc_classification.Net method) (carate.models.gcc_regression.Net method) (carate.models.graph_transformer_classification.Net method) (carate.models.graph_transformer_regression.Net method)

from_file() (carate.config_adapter.config.ConfigInitializer class method) (carate.runner.run.RunInitializer class method) from_json() (carate.config_adapter.config.ConfigInitializer class method) (carate.runner.run.RunInitializer class method)

G

get_accuracy() (in module carate.utils.training_result_parser) get_auc() (in module carate.utils.training_result_parser) get_avg() (in module carate.statistics.analysis) get_latest_checkpoint() (in module carate.utils.model_files) get_loss_json() (in module carate.utils.training_result_parser) get_max() (in module carate.statistics.analysis)

get_max_average() (in module carate.statistics.analysis) get_min() (in module carate.statistics.analysis) get_min_average() (in module carate.statistics.analysis) get_min_max_avg_cv_run() (in module carate.statistics.analysis) get_optimizer() (in module carate.optimizer.optimizer) get_stacked_list() (in module carate.statistics.analysis)

L

load_data() (carate.loader.load_data.DatasetObject class method) (carate.loader.load_data.StandardPytorchGeometricDataset method) load_model() (in module carate.utils.model_files) load_model_checkpoint() (carate.evaluation.base.Evaluation method) load_model_parameters() (in module carate.utils.model_files)

load_model_training_checkpoint() (in module carate.utils.model_files) load_result_json() (in module carate.statistics.analysis) load_result_json_old_format() (in module carate.plotting.base_plots) load_training_from_json_file() (in module carate.utils.training_result_parser) log() (carate.logging.metrics_logger.MetricsLogger method)

M

make_split() (carate.loader.load_data.StandardPytorchGeometricDataset method) MetricsLogger (class in carate.logging.metrics_logger) Model (class in carate.models.base_model) ModelMap (in module carate.config_adapter.config) module carate carate.cli carate.cli.automate carate.config_adapter carate.config_adapter.config carate.default_interface carate.evaluation carate.evaluation.base carate.evaluation.classification carate.evaluation.classification_whole_dataset carate.evaluation.regression carate.loader carate.loader.load_data carate.logging carate.logging.metrics_logger carate.main carate.models carate.models.base_model carate.models.cc_classification carate.models.cc_regression carate.models.cgc_classification carate.models.cgc_classification_jax carate.models.cgc_regression carate.models.cgc_regression_jax carate.models.g_classification carate.models.g_regression carate.models.gatv2_classification carate.models.gatv2_regression carate.models.gcc_classification carate.models.gcc_regression carate.models.graph_transformer_classification carate.models.graph_transformer_regression carate.optimizer carate.optimizer.optimizer carate.plotting carate.plotting.base_plots carate.plotting.multi_run carate.runner carate.runner.run carate.statistics carate.statistics.analysis carate.utils carate.utils.convert_to_json carate.utils.model_files carate.utils.training_result_parser

N

name (carate.evaluation.base.Evaluation attribute) Net (class in carate.models.cc_classification) (class in carate.models.cc_regression) (class in carate.models.cgc_classification) (class in carate.models.cgc_regression) (class in carate.models.g_classification) (class in carate.models.g_regression) (class in carate.models.gatv2_classification) (class in carate.models.gatv2_regression) (class in carate.models.gcc_classification) (class in carate.models.gcc_regression) (class in carate.models.graph_transformer_classification) (class in carate.models.graph_transformer_regression)

P

parse_min_max_avg() (in module carate.plotting.base_plots) parse_old_file_format_for_plot() (in module carate.plotting.base_plots) ploat_range_band_multi_val() (in module carate.plotting.multi_run) plot_all_runs_in_dir() (in module carate.plotting.multi_run) plot_range_band_multi() (in module carate.plotting.base_plots)

plot_range_band_multi_run() (in module carate.plotting.multi_run) plot_range_band_single() (in module carate.plotting.base_plots) plot_range_fill() (in module carate.plotting.base_plots) plot_trajectory_single_algorithm() (in module carate.plotting.base_plots) prepare_plot_multi() (in module carate.plotting.multi_run)

R

read_file() (in module carate.utils.convert_to_json) RegressionEvaluation (class in carate.evaluation.regression)

Run (class in carate.runner.run) run() (carate.runner.run.Run method) RunInitializer (class in carate.runner.run)

S

sanitize_raw_py() (in module carate.utils.convert_to_json) save_model() (in module carate.utils.model_files) save_model_checkpoint() (carate.evaluation.base.Evaluation method) save_model_parameters() (in module carate.utils.model_files) save_model_training_checkpoint() (in module carate.utils.model_files) save_publication_graphic() (in module carate.plotting.base_plots)

save_result() (carate.evaluation.base.Evaluation method) save_whole_checkpoint() (carate.evaluation.base.Evaluation method) StandardDatasetMoleculeNet (class in carate.loader.load_data) StandardDatasetTUDataset (class in carate.loader.load_data) StandardPytorchGeometricDataset (class in carate.loader.load_data) start_run() (in module carate.cli.automate)

T

test() (carate.evaluation.base.Evaluation method) (carate.evaluation.regression.RegressionEvaluation method)

train() (carate.evaluation.base.Evaluation method) (carate.evaluation.regression.RegressionEvaluation method) train_whole_directory() (in module carate.cli.automate)

U

unpack_run() (in module carate.statistics.analysis)