autoatml / autoplex Star 77 Code Issues Pull requests Code for automated fitting of machine learned interatomic potentials. atomistic-simulations high-throughput-computing atomistic-machine-learning atomistic-modelling machine-learned-interatomic-potentials ml-potentials mlips Updated Jun 7, 2025 Python
lab-cosmo / pet-mad Star 63 Code Issues Pull requests PET-MAD, a universal interatomic potential for advanced materials modeling machine-learning molecular-dynamics machine-learned-interatomic-potentials universal-potential Updated Jun 4, 2025 Python
raghurama123 / Rev-MLP4Sol Star 0 Code Issues Pull requests Codes and data for the Review: "Machine-Learned Potentials for Solvation Modeling" machine-learned-potential machine-learned-interatomic-potentials Updated May 29, 2025 Jupyter Notebook