Use MACE, CHGNet, SevenNet, Nequix, Orb, or MatterSim universal machine learning interatomic potentials (MLIP) in interactive interface for atomistic simulations
Compile the application from GitHub: https://github.com/bracerino/mace-md-gui
Universal MACE, CHGNet, or SevenNet machine learning interatomic potentials for calculations of single-point energies, geometry optimization, phonons, elastic properties, and genetic algorithm for substitutes / vacancies using an in interactive interface.
Multiple structures can be uploaded at once and the calculations run in batch mode.