torch_sim.modelsΒΆ

Models integrated with TorchSim.

Modules

fairchem

FairChem model wrapper for torch-sim.

fairchem_legacy

Wrapper for Legacy FairChem ecosystem models in TorchSim.

graphpes

Deprecated module for importing GraphPESWrapper, AtomicGraph, and GraphPESModel.

graphpes_framework

An interface for using arbitrary GraphPESModels in ts.

interface

Core interfaces for all models in TorchSim.

lennard_jones

Lennard-Jones 12-6 potential model.

mace

Wrapper for MACE model in TorchSim.

mattersim

TorchSim wrapper for MatterSim models.

metatomic

Wrapper for metatomic-based models in TorchSim.

morse

Morse potential model.

nequip_framework

Wrapper for NequIP-Allegro models in TorchSim.

nequix

Wrapper for Nequix models in TorchSim.

orb

Wrapper for ORB models in TorchSim.

pair_potential

General batched pair potential and pair forces models.

particle_life

Particle life model.

sevennet

Wrapper for SevenNet models in TorchSim.

soft_sphere

Soft sphere potential model.