Information about models ------------------------ .. py:currentmodule:: metatensor.torch.atomistic Here are the classes that are used to store and use information about the atomistic models. - :py:class:`ModelMetadata` stores metadata about the model: name, authors, references, *etc.* - :py:class:`ModelCapabilities` stores information about what a model can do. Part of that is the full set of outputs the model can produce, stored in :py:class:`ModelOutput`; - :py:class:`ModelEvaluationOptions` is used by the simulation engine to request the model to do some things. This is handled by :py:class:`MetatensorAtomisticModel`, and transformed into the arguments given to :py:meth:`ModelInterface.forward`. -------------------------------------------------------------------------------- .. autoclass:: metatensor.torch.atomistic.ModelMetadata :members: .. autoclass:: metatensor.torch.atomistic.ModelOutput :members: .. autoclass:: metatensor.torch.atomistic.ModelCapabilities :members: .. autoclass:: metatensor.torch.atomistic.ModelEvaluationOptions :members: