###########################
Models
###########################

***************************
Modeling
***************************

GIN
===========================
.. autoclass:: molgraph.models.GIN(tensorflow.keras.layers.Layer)
  :members: call, build, get_config, from_config
  :member-order: bysource

MPNN
===========================
.. autoclass:: molgraph.models.MPNN(tensorflow.keras.layers.Layer)
  :members: call, build, get_config, from_config
  :member-order: bysource

DMPNN
===========================
.. autoclass:: molgraph.models.DMPNN(tensorflow.keras.layers.Layer)
  :members: call, build, get_config, from_config
  :member-order: bysource

***************************
Interpretability
***************************

GradientActivationMapping
===========================
.. autoclass:: molgraph.models.GradientActivationMapping(tensorflow.Module)
  :members: build
  :special-members: __call__

SaliencyMapping
===========================
.. autoclass:: molgraph.models.SaliencyMapping(tensorflow.Module)
  :members: build
  :special-members: __call__

IntegratedSaliencyMapping
===========================
.. autoclass:: molgraph.models.IntegratedSaliencyMapping(tensorflow.Module)
  :members: build
  :special-members: __call__

SmoothGradSaliencyMapping
===========================
.. autoclass:: molgraph.models.SmoothGradSaliencyMapping(tensorflow.Module)
  :members: build
  :special-members: __call__


***************************
Pretraining
***************************

GraphMasking
===========================
.. autoclass:: molgraph.models.GraphMasking(tensorflow.keras.Model)
  :members: fit, evaluate, predict, compile, get_config, from_config
  :member-order: bysource
  
GraphAutoEncoder
===========================
.. autoclass:: molgraph.models.GraphAutoEncoder(tensorflow.keras.Model)
  :members: fit, evaluate, predict, compile, get_config, from_config
  :member-order: bysource

GraphVariationalAutoEncoder
===========================
.. autoclass:: molgraph.models.GraphVariationalAutoEncoder(tensorflow.keras.Model)
  :members: fit, evaluate, predict, compile, get_config, from_config
  :member-order: bysource