tdc.metadata#

This file contains all metadata of datasets in TDC.

tdc.metadata.adme_dataset_names#

all adme dataset names

Type

list

tdc.metadata.admet_benchmark#

a dictionary with key the TDC task and value a list of dataset names

Type

dict

tdc.metadata.admet_metrics#

a dictionary with key the dataset name and value the recommended metric

Type

dict

tdc.metadata.admet_splits#

a dictionary with key the dataset name and value the recommended split

Type

dict

tdc.metadata.antibodyaff_dataset_names#

all antibody_aff dataset names

Type

list

tdc.metadata.benchmark2id#

benchmark names to dataverse download ID

Type

dict

tdc.metadata.benchmark2type#

benchmark names to file type in download format

Type

dict

tdc.metadata.benchmark_names#

a dictionary mapping benchmark group name to each benchmark group dataset names

Type

dict

tdc.metadata.bm_metric_names#

a dictionary mapping benchmark group name to each benchmark group metric names

Type

dict

tdc.metadata.bm_split_names#

a dictionary mapping benchmark group name to each benchmark group split names

Type

dict

tdc.metadata.catalyst_dataset_names#

all catalyst dataset names

Type

list

tdc.metadata.category_names#

mapping from ML problem (1st tier) to all tasks

Type

dict

tdc.metadata.crisproutcome_dataset_names#

all crispr outcome dataset names

Type

list

tdc.metadata.dataset_list#

total list of dataset names in TDC

Type

list

tdc.metadata.dataset_names#

mapping from task name to list of dataset names

Type

dict

tdc.metadata.ddi_dataset_names#

all ddi dataset names

Type

list

tdc.metadata.develop_dataset_names#

all develop dataset names

Type

list

tdc.metadata.distribution_oracles#

all distribution learning oracles, i.e. molecule evaluators

Type

list

tdc.metadata.docking_benchmark#

docking benchmark target names

Type

dict

tdc.metadata.docking_target_info#

docking benchmark target pockets info

Type

dict

tdc.metadata.download_oracle_names#

oracle names that require downloading predictors

Type

list

tdc.metadata.drugres_dataset_names#

all drugres dataset names

Type

list

tdc.metadata.drugsyn_benchmark#

drugcombo benchmark group targets

Type

dict

tdc.metadata.drugsyn_dataset_names#

all drugsyn dataset names

Type

list

tdc.metadata.drugsyn_metrics#

a dictionary with key the dataset name and value the recommended metric

Type

dict

tdc.metadata.drugsyn_splits#

a dictionary with key the dataset name and value the recommended split

Type

dict

tdc.metadata.dti_dataset_names#

all dti dataset names

Type

list

tdc.metadata.dti_dg_benchmark#

dti_dg benchmark group dataset names

Type

dict

tdc.metadata.dti_dg_metrics#

a dictionary with key the dataset name and value the recommended metric

Type

dict

tdc.metadata.dti_dg_splits#

a dictionary with key the dataset name and value the recommended split

Type

dict

tdc.metadata.epitope_dataset_names#

all epitope dataset names

Type

list

tdc.metadata.evaluator_name#

list of evaluator names

Type

list

tdc.metadata.forwardsyn_dataset_names#

all reaction dataset names

Type

list

tdc.metadata.gda_dataset_names#

all gda dataset names

Type

list

tdc.metadata.generation_datasets#

all generation dataset names

Type

list

tdc.metadata.guacamol_oracle#

list of oracles from guacamol

Type

list

tdc.metadata.hts_dataset_names#

all hts dataset names

Type

list

tdc.metadata.meta_oracle_name#

list of all meta oracle names

Type

list

tdc.metadata.molgenpaired_dataset_names#

all molgenpaired dataset names

Type

list

tdc.metadata.mti_dataset_names#

all mti dataset names

Type

list

tdc.metadata.name2id#

mapping from dataset names to dataverse id

Type

dict

tdc.metadata.name2stats#

mapping from dataset names to statistics

Type

dict

tdc.metadata.name2type#

mapping from dataset names to downloaded file format

Type

dict

tdc.metadata.oracle2id#

mapping from oracle names to dataverse id

Type

dict

tdc.metadata.oracle2type#

mapping from oracle names to downloaded file format

Type

dict

tdc.metadata.receptor2id#

mapping from receptor id to dataverse id

Type

dict

tdc.metadata.oracle_names#

list of all oracle names

Type

list

tdc.metadata.paired_dataset_names#

all paired dataset names

Type

list

tdc.metadata.paratope_dataset_names#

all paratope dataset names

Type

list

tdc.metadata.peptidemhc_dataset_names#

all peptidemhc dataset names

Type

list

tdc.metadata.ppi_dataset_names#

all ppi dataset names

Type

list

tdc.metadata.property_names#

a list of oracles that correspond to some molecular properties

Type

list

tdc.metadata.qm_dataset_names#

all qm dataset names

Type

list

tdc.metadata.retrosyn_dataset_names#

all retrosyn dataset names

Type

list

tdc.metadata.sdf_file_names#

list of sdf file names

Type

list

tdc.metadata.single_molecule_dataset_names#

all molgen dataset names multiple_molecule_dataset_names (list): all ligandmolgen dataset names

Type

list

tdc.metadata.synthetic_oracle_name#

all oracle names for synthesis

Type

list

tdc.metadata.test_multi_pred_dataset_names#

test multi pred task name

Type

list

tdc.metadata.test_single_pred_dataset_names#

test single pred task name

Type

list

tdc.metadata.toxicity_dataset_names#

all toxicity dataset names

Type

list

tdc.metadata.trivial_oracle_names#

a list of oracle names for trivial oracles

Type

list

tdc.metadata.yield_dataset_names#

all yield dataset names

Type

list

tdc.metadata.get_task2category()[source]#