torch_sim.models.fairchemΒΆ
Wrapper for FairChem ecosystem models in TorchSim.
This module provides a TorchSim wrapper of the FairChem models for computing energies, forces, and stresses of atomistic systems. It serves as a wrapper around the FairChem library, integrating it with the torch_sim framework to enable seamless simulation of atomistic systems with machine learning potentials.
The FairChemModel class adapts FairChem models to the ModelInterface protocol, allowing them to be used within the broader torch_sim simulation framework.
Notes
This implementation requires FairChem to be installed and accessible. It supports various model configurations through configuration files or pretrained model checkpoints.
Classes
Computes atomistic energies, forces and stresses using a FairChem model. |