torch_sim.models

Models integrated with TorchSim.

Modules

dispersion	DFT-D3(BJ) dispersion correction model.
electrostatics	Electrostatics models: DSF, Ewald, and PME.
fairchem	FairChem model wrapper for torch-sim.
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.
polarization	Electric-field corrections for polarization-aware models.
sevennet	Wrapper for SevenNet models in TorchSim.
soft_sphere	Soft sphere potential model.