faenet.embedding
Module Contents
Classes
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
)