faenet.embedding

Module Contents

Classes

PhysEmbedding

Create physics-aware embeddings for each atom based their properties.
class faenet.embedding.PhysEmbedding(props=True, props_grad=False, pg=False, short=False)[source]

Bases: torch.nn.Module

Create physics-aware embeddings for each atom based their properties.

Parameters:

  • props (bool, optional) – Create an embedding of physical properties. (default: True)

  • props_grad (bool, optional) – Learn a physics-aware embedding instead of keeping it fixed. (default: False)

  • pg (bool, optional) – Learn two embeddings based on period and group information respectively. (default: False)

  • short (bool, optional) – Remove all columns containing NaN values. (default: False)

property device[source]