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TorchDrug 0.2.1 documentation
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  • Installation
  • Quick Start
  • Benchmark
    • Molecule Property Prediction
    • Pretrained Molecular Representations
    • Molecule Generation
    • Retrosynthesis
    • Knowledge Graph Reasoning
  • Tutorials
    • Property Prediction
    • Pretrained Molecular Representations
    • Molecule Generation
    • Retrosynthesis
    • Knowledge Graph Reasoning
  • Notes
    • Graph Data Structures
    • Batch Irregular Structures
    • Graph Neural Network Layers
    • Customize Models & Tasks
    • Deal with References
  • Papers Implemented

Package Reference

  • Documentation
    • torchdrug.core
    • torchdrug.data
    • torchdrug.datasets
    • torchdrug.transforms
    • torchdrug.metrics
    • torchdrug.layers
    • torchdrug.models
    • torchdrug.tasks
    • torchdrug.utils
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Notes#

  • Graph Data Structures
    • Create a Graph
    • Graph Attributes
    • Batch Graph
    • Subgraph and Masking
  • Batch Irregular Structures
    • Variadic Input
    • Variadic Output
  • Graph Neural Network Layers
    • Message Passing Layers
    • Readout and Broadcast Layers
  • Customize Models & Tasks
    • Node Representation Model
    • Link Prediction Task
    • Put Them Together
  • Deal with References
    • Inverse Edge Index
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Graph Data Structures
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Knowledge Graph Reasoning
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