aenet.torch_featurize.BatchedFeaturizer
- class aenet.torch_featurize.BatchedFeaturizer(*args: Any, **kwargs: Any)[source]
Batched featurization for multiple structures.
More efficient for training on datasets.
- __init__(featurizer: ChebyshevDescriptor)[source]
Initialize batched featurizer.
- Parameters:
featurizer – ChebyshevDescriptor instance to use
Methods
__init__(featurizer)Initialize batched featurizer.
forward(batch_positions, batch_species[, ...])Featurize batch of structures.