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Model Zoo

.. currentmodule:: dgl.model_zoo

Chemistry

Utils

.. autosummary::
    :toctree: ../../generated/

    chem.load_pretrained

Property Prediction

Currently supported model architectures:

  • GCNClassifier
  • GATClassifier
  • MPNN
  • SchNet
  • MGCN
.. autoclass:: dgl.model_zoo.chem.GCNClassifier
    :members: forward

.. autoclass:: dgl.model_zoo.chem.GATClassifier
    :members: forward

.. autoclass:: dgl.model_zoo.chem.MPNNModel
    :members: forward

.. autoclass:: dgl.model_zoo.chem.SchNet
    :members: forward

.. autoclass:: dgl.model_zoo.chem.MGCNModel
    :members: forward

Generative Models

Currently supported model architectures:

  • DGMG
  • JTNN
.. autoclass:: dgl.model_zoo.chem.DGMG
    :members: forward

.. autoclass:: dgl.model_zoo.chem.DGLJTNNVAE
    :members: forward
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