torch_sim.models.metatomic

Wrapper for metatomic-based models in TorchSim.

This module provides a TorchSim wrapper of metatomic models for computing energies, forces, and stresses for atomistic systems, including batched computations for multiple systems simultaneously.

The MetatomicModel class adapts metatomic models to the ModelInterface protocol, allowing them to be used within the broader torch_sim simulation framework.

Notes

This module depends on the metatomic-torch package.

Classes

MetatomicModel

Computes energies for a list of systems using a metatomic model.