API reference¶
Note
This is the documentation for metatensor-torch version
0.5.1. For other versions, look in the following pages:
The classes and functions in the TorchScript API are kept as close as possible to the classes and functions of the pure Python API, with the explicit goal that changing from
import metatensor
from metatensor import TensorMap, TensorBlock, Labels
to
import metatensor.torch as metatensor
from metatensor.torch import TensorMap, TensorBlock, Labels
should be 80% of the work required to make a model developed in Python with
metatensor.operations compatible with TorchScript. In particular, all
the operations are also available in the
metatensor.torch module under the same name. All the functions have the same
behavior, but the versions in metatensor.torch are annotated with the types
from metatensor.torch, and compatible with TorchScript compilation. For
example metatensor.add() is available as metatensor.torch.add().
The learn module is also re-exported inside
metatensor.torch.learn, with the same functionalities as
metatensor.learn.
The documentation for the usual core classes of metatensor can be found in the following pages: