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Models
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Amanda-D
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torchdrug
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torchdrug.tasks
Property Prediction Tasks
PropertyPrediction
MultipleBinaryClassification
NodePropertyPrediction
InteractionPrediction
Pre-trained Molecular Representation Tasks
EdgePrediction
AttributeMasking
ContextPrediction
DistancePrediction
AnglePrediction
DihedralPrediction
Unsupervised
Molecule Generation Tasks
AutoregressiveGeneration
GCPNGeneration
Retrosynthesis Tasks
CenterIdentification
SynthonCompletion
Retrosynthesis
Knowledge Graph Reasoning Tasks
KnowledgeGraphCompletion
Protein-Protein Interaction Prediction Tasks
ContactPrediction