- class openff.nagl.nn.ReadoutModule(pooling_layer: PoolingLayer, readout_layers: SequentialLayers, postprocess_layer: PostprocessLayer | None = None)[source]
Bases:
Module
A module that transforms the node features generated by a series of graph convolutions via propagation through a pooling, readout and optional postprocess layer.
Methods
Defines the computation performed at every call.
Attributes
training
- forward(molecule: DGLMolecule | DGLMoleculeBatch) Tensor [source]
Defines the computation performed at every call.
Should be overridden by all subclasses.
Note
Although the recipe for forward pass needs to be defined within this function, one should call the
Module
instance afterwards instead of this since the former takes care of running the registered hooks while the latter silently ignores them.