torch_sim.modelsΒΆ

Models for TorchSim.

Modules

fairchem

Wrapper for FairChem ecosystem models in TorchSim.

graphpes

An interface for using arbitrary GraphPESModels in torch_sim.

interface

Core interfaces for all models in torchsim.

lennard_jones

Classical pairwise interatomic potential model.

mace

Wrapper for MACE model in TorchSim.

mattersim

TorchSim wrapper for MatterSim models.

metatensor

Wrapper for metatensor-based models in TorchSim.

morse

Anharmonic interatomic potential for molecular dynamics.

orb

ORB: PyTorch implementation of ORB models for atomistic simulations.

sevennet

TorchSim wrapper for SevenNet models.

soft_sphere

Soft sphere model for computing energies, forces and stresses.