PostprocessLayer

class openff.nagl.nn.postprocess.PostprocessLayer(*args, **kwargs)[source]

Bases: Module, ABC

A layer to apply to the final readout of a neural network.

Methods

forward

Returns the post-processed input vector.

Attributes

n_features

name

training

abstract forward(molecule: DGLMolecule | DGLMoleculeBatch, inputs: Tensor) → Tensor[source]

Returns the post-processed input vector.

n_features: ClassVar[int] = 0
name: ClassVar[str] = ''