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()