torchdrug.models
================

.. currentmodule:: torchdrug.models

Knowledge Graph Reasoning Models
--------------------------------

TransE
^^^^^^
.. autoclass:: TransE
    :members:

DistMult
^^^^^^^^
.. autoclass:: DistMult
    :members:

ComplEx
^^^^^^^
.. autoclass:: ComplEx
    :members:

SimplE
^^^^^^
.. autoclass:: SimplE
    :members:

RotatE
^^^^^^
.. autoclass:: RotatE
    :members:

NeuralLP
^^^^^^^^
.. autoclass:: NeuralLogicProgramming
    :members:

.. autoclass:: NeuralLP

KBGAT
^^^^^
.. autoclass:: KnowledgeBaseGraphAttentionNetwork
    :members:

.. autoclass:: KBGAT

Graph Neural Networks
---------------------

ChebNet
^^^^^^^
.. autoclass:: ChebyshevConvolutionalNetwork
    :members:

.. autoclass:: ChebNet

GCN
^^^
.. autoclass:: GraphConvolutionalNetwork
    :members:

.. autoclass:: GCN

GAT
^^^
.. autoclass:: GraphAttentionNetwork
    :members:

.. autoclass:: GAT

GIN
^^^
.. autoclass:: GraphIsomorphismNetwork
    :members:

.. autoclass:: GIN

MPNN
^^^^
.. autoclass:: MessagePassingNeuralNetwork
    :members:

.. autoclass:: MPNN

NFP
^^^
.. autoclass:: NeuralFingerprint
    :members:

.. autoclass:: NFP

RGCN
^^^^
.. autoclass:: RelationalGraphConvolutionalNetwork
    :members:

.. autoclass:: RGCN

GearNet
^^^^^^^
.. autoclass:: GeometryAwareRelationalGraphNeuralNetwork
    :members:

.. autoclass:: GearNet

SchNet
^^^^^^
.. autoclass:: SchNet
    :members:


Protein Sequence Encoders
-------------------------

ESM
^^^
.. autoclass:: EvolutionaryScaleModeling
    :members:

ProteinCNN
^^^^^^^^^^
.. autoclass:: ProteinConvolutionalNetwork
    :members:

ProteinResNet
^^^^^^^^^^^^^
.. autoclass:: ProteinResNet
    :members:

ProteinLSTM
^^^^^^^^^^^
.. autoclass:: ProteinLSTM
    :members:

ProteinBERT
^^^^^^^^^^^
.. autoclass:: ProteinBERT
    :members:

Statistic Feature Engineering
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
.. autoclass:: Statistic
    :members:

Physicochemical Feature Engineering
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
.. autoclass:: Physicochemical
    :members:


Normalizing Flows
-----------------

GraphAutoregressiveFlow
^^^^^^^^^^^^^^^^^^^^^^^
.. autoclass:: GraphAutoregressiveFlow
    :members:

.. autoclass:: GraphAF


Self-supervised Models
----------------------

InfoGraph
^^^^^^^^^
.. autoclass:: InfoGraph
    :members:

MultiviewContrast
^^^^^^^^^^^^^^^^^
.. autoclass:: MultiviewContrast
    :members: