From e603b8253e0cf1795813f7a45c52fd93b8f5ce7e Mon Sep 17 00:00:00 2001 From: Allen Goodman Date: Wed, 10 Jul 2024 19:39:16 -0400 Subject: [PATCH] datasets --- src/beignet/datasets/__init__.py | 142 ++++++++++++++++++++++++++++++- 1 file changed, 141 insertions(+), 1 deletion(-) diff --git a/src/beignet/datasets/__init__.py b/src/beignet/datasets/__init__.py index e7e23958db..69b938953b 100644 --- a/src/beignet/datasets/__init__.py +++ b/src/beignet/datasets/__init__.py @@ -1,35 +1,175 @@ +from ._aqsoldb_solubility_dataset import AqSolDBSolubilityDataset +from ._astrazeneca_clearance_dataset import AstraZenecaClearanceDataset +from ._astrazeneca_lipophilicity_dataset import AstraZenecaLipophilicityDataset +from ._astrazeneca_plasma_protein_binding_rate_dataset import ( + AstraZenecaPlasmaProteinBindingRateDataset, +) +from ._atom3d_dataset import ATOM3DDataset +from ._atom3d_msp_dataset import ATOM3DMSPDataset +from ._atom3d_ppi_dataset import ATOM3DPPIDataset +from ._atom3d_psr_dataset import ATOM3DPSRDataset +from ._atom3d_res_dataset import ATOM3DRESDataset +from ._atom3d_rsr_dataset import ATOM3DRSRDataset +from ._atom3d_smp_dataset import ATOM3DSMPDataset +from ._bindingdb_dataset import BindingDBDataset +from ._broccatelli_p_glycoprotein_inhibition_dataset import ( + BroccatelliPGlycoproteinInhibitionDataset, +) +from ._carbon_mangels_cytochrome_p450_2c9_substrate_dataset import ( + CarbonMangelsCytochromeP4502C9SubstrateDataset, +) +from ._carbon_mangels_cytochrome_p450_2d6_substrate_dataset import ( + CarbonMangelsCytochromeP4502D6SubstrateDataset, +) +from ._carbon_mangels_cytochrome_p450_3a4_substrate_dataset import ( + CarbonMangelsCytochromeP4503A4SubstrateDataset, +) +from ._chembl_dataset import ChEMBLDataset +from ._clintox_dataset import ClinToxDataset +from ._data_frame_dataset import DataFrameDataset +from ._davis_dataset import DAVISDataset +from ._disgenet_dataset import DisGeNETDataset +from ._drugcomb_dataset import DrugCombDataset from ._fasta_dataset import FASTADataset +from ._freesolv_dataset import FreeSolvDataset +from ._gdsc1_dataset import GDSC1Dataset +from ._gdsc2_dataset import GDSC2Dataset from ._hdf5_trajectory_dataset import HDF5TrajectoryDataset +from ._hou_human_intestinal_absorption_dataset import ( + HouHumanIntestinalAbsorptionDataset, +) +from ._huri_dataset import HuRIDataset +from ._kiba_dataset import KIBADataset +from ._lmdb_dataset import LMDBDataset +from ._lombardo_volume_of_distribution_at_steady_state_dataset import ( + LombardoVolumeOfDistributionAtSteadyStateDataset, +) +from ._ma_bioavailability_dataset import MaBioavailabilityDataset +from ._martins_blood_brain_barrier_dataset import MartinsBloodBrainBarrierDataset +from ._moses_dataset import MOSESDataset +from ._ncats_pampa_permeability_dataset import NCATSPAMPAPermeabilityDataset +from ._obach_half_life_dataset import ObachHalfLifeDataset +from ._parquet_dataset import ParquetDataset +from ._pdb_70_dataset import PDB70Dataset from ._pdb_trajectory_dataset import PDBTrajectoryDataset +from ._pdbbind_dataset import PDBbindDataset +from ._qm7_dataset import QM7Dataset +from ._qm7b_dataset import QM7bDataset +from ._qm8_dataset import QM8Dataset +from ._qm9_dataset import QM9Dataset from ._random_euler_angle_dataset import RandomEulerAngleDataset from ._random_quaternion_dataset import RandomQuaternionDataset +from ._random_rotation_dataset import RandomRotationDataset from ._random_rotation_matrix_dataset import RandomRotationMatrixDataset from ._random_rotation_vector_dataset import RandomRotationVectorDataset +from ._real_database_dataset import REALDatabaseDataset +from ._sabdab_dataset import SAbDabDataset from ._sequence_dataset import SequenceDataset from ._sized_sequence_dataset import SizedSequenceDataset +from ._skempi_dataset import SKEMPIDataset from ._swissprot_dataset import SwissProtDataset +from ._tdc_dataset import TDCDataset +from ._tox21_dataset import Tox21Dataset +from ._toxcast_dataset import ToxCastDataset from ._trajectory_dataset import TrajectoryDataset from ._trembl_dataset import TrEMBLDataset from ._uniprot_dataset import UniProtDataset from ._uniref50_dataset import UniRef50Dataset from ._uniref90_dataset import UniRef90Dataset from ._uniref100_dataset import UniRef100Dataset +from ._uspto_reaction_product_dataset import USPTOReactionProductDataset +from ._veith_cytochrome_p450_1a2_inhibition_dataset import ( + VeithCytochromeP4501A2InhibitionDataset, +) +from ._veith_cytochrome_p450_2c9_inhibition_dataset import ( + VeithCytochromeP4502C9InhibitionDataset, +) +from ._veith_cytochrome_p450_2c19_inhibition_dataset import ( + VeithCytochromeP4502C19InhibitionDataset, +) +from ._veith_cytochrome_p450_2d6_inhibition_dataset import ( + VeithCytochromeP4502D6InhibitionDataset, +) +from ._veith_cytochrome_p450_3a4_inhibition_dataset import ( + VeithCytochromeP4503A4InhibitionDataset, +) +from ._wang_effective_permeability_dataset import WangEffectivePermeabilityDataset +from ._zhu_acute_toxicity_ld50_dataset import ZhuAcuteToxicityLD50Dataset +from ._zinc_dataset import ZINCDataset __all__ = [ + "AqSolDBSolubilityDataset", + "AstraZenecaClearanceDataset", + "AstraZenecaLipophilicityDataset", + "AstraZenecaPlasmaProteinBindingRateDataset", + "ATOM3DDataset", + "ATOM3DMSPDataset", + "ATOM3DPPIDataset", + "ATOM3DPSRDataset", + "ATOM3DRESDataset", + "ATOM3DRSRDataset", + "ATOM3DSMPDataset", + "BindingDBDataset", + "BroccatelliPGlycoproteinInhibitionDataset", + "CarbonMangelsCytochromeP4502C9SubstrateDataset", + "CarbonMangelsCytochromeP4502D6SubstrateDataset", + "CarbonMangelsCytochromeP4503A4SubstrateDataset", + "ChEMBLDataset", + "ClinToxDataset", + "DataFrameDataset", + "DAVISDataset", + "DisGeNETDataset", + "DrugCombDataset", "FASTADataset", + "FreeSolvDataset", + "GDSC1Dataset", + "GDSC2Dataset", "HDF5TrajectoryDataset", + "HouHumanIntestinalAbsorptionDataset", + "HuRIDataset", + "KIBADataset", + "LMDBDataset", + "LombardoVolumeOfDistributionAtSteadyStateDataset", + "MaBioavailabilityDataset", + "MartinsBloodBrainBarrierDataset", + "MOSESDataset", + "NCATSPAMPAPermeabilityDataset", + "ObachHalfLifeDataset", + "ParquetDataset", + "PDB70Dataset", "PDBTrajectoryDataset", + "PDBbindDataset", + "QM7Dataset", + "QM7bDataset", + "QM8Dataset", + "QM9Dataset", "RandomEulerAngleDataset", "RandomQuaternionDataset", + "RandomRotationDataset", "RandomRotationMatrixDataset", "RandomRotationVectorDataset", + "REALDatabaseDataset", + "SAbDabDataset", "SequenceDataset", "SizedSequenceDataset", + "SKEMPIDataset", "SwissProtDataset", - "TrEMBLDataset", + "TDCDataset", + "Tox21Dataset", + "ToxCastDataset", "TrajectoryDataset", + "TrEMBLDataset", "UniProtDataset", "UniRef100Dataset", "UniRef50Dataset", "UniRef90Dataset", + "USPTOReactionProductDataset", + "VeithCytochromeP4501A2InhibitionDataset", + "VeithCytochromeP4502C19InhibitionDataset", + "VeithCytochromeP4502C9InhibitionDataset", + "VeithCytochromeP4502D6InhibitionDataset", + "VeithCytochromeP4503A4InhibitionDataset", + "WangEffectivePermeabilityDataset", + "ZhuAcuteToxicityLD50Dataset", + "ZINCDataset", ]