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docs/source/api/encoder.rst

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Molecular Encoder Models
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This section documents the encoder(representation learning) models in `torch_molecule.encoder`.
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.. rubric:: MoAma for Molecular Representation Learning
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.. automodule:: torch_molecule.encoder.moama
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.. rubric:: Supervised/Pseudolabeled Pretraining for Molecules
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.. automodule:: torch_molecule.encoder.supervised
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.. rubric:: Attribute Masking for Molecular Representation Learning
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.. automodule:: torch_molecule.encoder.attrmask
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.. rubric:: Context Prediction for Molecular Representation Learning
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.. automodule:: torch_molecule.encoder.contextpred
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.. rubric:: Edge Prediction for Molecular Representation Learning
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.. automodule:: torch_molecule.encoder.edgepred
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docs/source/api/generator.rst

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Molecular Generation Models
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This section documents the generation models in `torch_molecule.generator`.
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.. rubric:: GraphDiT for Un/Multi-conditional Molecular Generation
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.. automodule:: torch_molecule.generator.graph_dit
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.. automodule:: torch_molecule.generator.digress
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.. rubric:: Graph Genetic Algorithm for Un/Multi-conditional Molecular Generation
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.. automodule:: torch_molecule.generator.graphga
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docs/source/api/predictor.rst

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Molecular Property Prediction Models
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This section documents the predictor models in `torch_molecule.predictor`.
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.. (Add predictors here as needed. You might write summaries and link submodules.)
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.. rubric:: Graph Neural Networks
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.. .. autoclass:: torch_molecule.predictor.gnn.modeling_gnn.GNNMolecularPredictor
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.. :members: fit, autofit, predict

docs/source/index.rst

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:caption: Getting Started:
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index
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install
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example
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