--- a +++ b/doc/source/api/tasks.rst @@ -0,0 +1,117 @@ +torchdrug.tasks +=============== + +.. currentmodule:: torchdrug.tasks + +Property Prediction Tasks +------------------------- + +PropertyPrediction +^^^^^^^^^^^^^^^^^^ +.. autoclass:: PropertyPrediction + :members: + +MultipleBinaryClassification +^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +.. autoclass:: MultipleBinaryClassification + :members: + +NodePropertyPrediction +^^^^^^^^^^^^^^^^^^^^^^ +.. autoclass:: NodePropertyPrediction + :members: + +InteractionPrediction +^^^^^^^^^^^^^^^^^^^^^ +.. autoclass:: InteractionPrediction + :members: + + +Pre-trained Molecular Representation Tasks +------------------------------------------ + +EdgePrediction +^^^^^^^^^^^^^^ +.. autoclass:: EdgePrediction + :members: + +AttributeMasking +^^^^^^^^^^^^^^^^ +.. autoclass:: AttributeMasking + :members: + +ContextPrediction +^^^^^^^^^^^^^^^^^ +.. autoclass:: ContextPrediction + :members: + +DistancePrediction +^^^^^^^^^^^^^^^^^^ +.. autoclass:: DistancePrediction + :members: + +AnglePrediction +^^^^^^^^^^^^^^^ +.. autoclass:: AnglePrediction + :members: + +DihedralPrediction +^^^^^^^^^^^^^^^^^^ +.. autoclass:: DihedralPrediction + :members: + +Unsupervised +^^^^^^^^^^^^ +.. autoclass:: Unsupervised + :members: + + +Molecule Generation Tasks +------------------------- + +AutoregressiveGeneration +^^^^^^^^^^^^^^^^^^^^^^^^ +.. autoclass:: AutoregressiveGeneration + :members: + +GCPNGeneration +^^^^^^^^^^^^^^ +.. autoclass:: GCPNGeneration + :members: + + +Retrosynthesis Tasks +-------------------- + +CenterIdentification +^^^^^^^^^^^^^^^^^^^^ +.. autoclass:: CenterIdentification + :members: + +SynthonCompletion +^^^^^^^^^^^^^^^^^ +.. autoclass:: SynthonCompletion + :members: + +Retrosynthesis +^^^^^^^^^^^^^^ +.. autoclass:: Retrosynthesis + :members: + + +Knowledge Graph Reasoning Tasks +------------------------------- + +KnowledgeGraphCompletion +^^^^^^^^^^^^^^^^^^^^^^^^ +.. autoclass:: KnowledgeGraphCompletion + :members: + + +Protein-Protein Interaction Prediction Tasks +-------------------------------------------- + +ContactPrediction +^^^^^^^^^^^^^^^^^ +.. autoclass:: ContactPrediction + :members: