--- a +++ b/doc/source/api/datasets.rst @@ -0,0 +1,266 @@ +torchdrug.datasets +================== + +.. currentmodule:: torchdrug.datasets + +Knowledge Graph Datasets +------------------------ + +FB15k +^^^^^ +.. autoclass:: FB15k + :members: + +FB15k237 +^^^^^^^^ +.. autoclass:: FB15k237 + :members: + +WN18 +^^^^ +.. autoclass:: WN18 + :members: + +WN18RR +^^^^^^ +.. autoclass:: WN18RR + :members: + +Hetionet +^^^^^^^^ +.. autoclass:: Hetionet + :members: + + +Molecule Property Prediction Datasets +------------------------------------- + +BACE +^^^^ +.. autoclass:: BACE + :members: + +BBBP +^^^^ +.. autoclass:: BBBP + :members: + +CEP +^^^ +.. autoclass:: CEP + :members: + +ChEMBLFiltered +^^^^^^^^^^^^^^ +.. autoclass:: ChEMBLFiltered + :members: + +ClinTox +^^^^^^^ +.. autoclass:: ClinTox + :members: + +Delaney +^^^^^^^ +.. autoclass:: Delaney + :members: + +FreeSolv +^^^^^^^^ +.. autoclass:: FreeSolv + :members: + +HIV +^^^ +.. autoclass:: HIV + :members: + +Lipophilicity +^^^^^^^^^^^^^ +.. autoclass:: Lipophilicity + :members: + +MUV +^^^ +.. autoclass:: MUV + :members: + +Malaria +^^^^^^^ +.. autoclass:: Malaria + :members: + +OPV +^^^ +.. autoclass:: OPV + :members: + +QM8 +^^^ +.. autoclass:: QM8 + :members: + +QM9 +^^^ +.. autoclass:: QM9 + :members: + +SIDER +^^^^^ +.. autoclass:: SIDER + :members: + +Tox21 +^^^^^ +.. autoclass:: Tox21 + :members: + +ToxCast +^^^^^^^ +.. autoclass:: ToxCast + :members: + +ZINC250k +^^^^^^^^ +.. autoclass:: ZINC250k + :members: + +ZINC2m +^^^^^^ +.. autoclass:: ZINC2m + :members: + +MOSES +^^^^^ +.. autoclass:: MOSES + :members: + +PCQM4M +^^^^^^ +.. autoclass:: PCQM4M + :members: + + +Protein Property Prediction Datasets +------------------------------------ + +BetaLactamase +^^^^^^^^^^^^^ +.. autoclass:: BetaLactamase + :members: + +Fluorescence +^^^^^^^^^^^^ +.. autoclass:: Fluorescence + :members: + +Stability +^^^^^^^^^ +.. autoclass:: Stability + :members: + +Solubility +^^^^^^^^^^ +.. autoclass:: Solubility + :members: + +BinaryLocalization +^^^^^^^^^^^^^^^^^^ +.. autoclass:: BinaryLocalization + :members: + +SubcellularLocalization +^^^^^^^^^^^^^^^^^^^^^^^ +.. autoclass:: SubcellularLocalization + :members: + +EnzymeCommission +^^^^^^^^^^^^^^^^ +.. autoclass:: EnzymeCommission + :members: + +GeneOntology +^^^^^^^^^^^^ +.. autoclass:: GeneOntology + :members: + +AlphaFoldDB +^^^^^^^^^^^ +.. autoclass:: AlphaFoldDB + :members: + +Protein Structure Prediction Datasets +------------------------------------- + +Fold +^^^^ +.. autoclass:: Fold + :members: + +SecondaryStructure +^^^^^^^^^^^^^^^^^^ +.. autoclass:: SecondaryStructure + :members: + +ProteinNet +^^^^^^^^^^ +.. autoclass:: ProteinNet + :members: + +Protein-Protein Prediction Datasets +----------------------------------- + +HumanPPI +^^^^^^^^ +.. autoclass:: HumanPPI + :members: + +YeastPPI +^^^^^^^^ +.. autoclass:: YeastPPI + :members: + +PPIAffinity +^^^^^^^^^^^ +.. autoclass:: PPIAffinity + :members: + +Protein Ligand Prediction Datasets +---------------------------------- + +BindingDB +^^^^^^^^^ +.. autoclass:: BindingDB + :members: + +PDBBind +^^^^^^^ +.. autoclass:: PDBBind + :members: + +Retrosynthesis Datasets +----------------------- + +USPTO50k +^^^^^^^^ +.. autoclass:: USPTO50k + :members: + + +Citation Network Datasets +------------------------- + +Cora +^^^^ +.. autoclass:: Cora + :members: + +CiteSeer +^^^^^^^^ +.. autoclass:: CiteSeer + :members: + +PubMed +^^^^^^ +.. autoclass:: PubMed + :members: \ No newline at end of file