- class openff.nagl.nn.PoolBondFeatures(layers: SequentialLayers)[source]
Bases:
PoolingLayer
A convenience class for pooling the node feature vectors produced by a graph convolutional layer into a set of symmetric bond (edge) features.
Methods
Returns the pooled feature vector.
Returns the number of values per molecule.
Attributes
training
- forward(molecule: DGLMolecule | DGLMoleculeBatch) Tensor [source]
Returns the pooled feature vector.