Overview

Franken currently supports multiple deployment and simulation interfaces, depending on the backbone and the target software.

The table below summarizes the currently supported routes and links to the dedicated pages.

Interface	Software	Supported backbones	Usage mode
ASE	ASE	all	Python: FrankenCalculator
MACE-LAMMPS	LAMMPS(+mace)	MACE	CLI: franken.wrap_mace_lammps
Metatomic	ASE, LAMMPS(+metatomic)	PET	CLI: franken.wrap_metatomic
Torch-sim	torch-sim	MACE, PET	Python: FrankenTorchSimModel