DMFF
Discover DMFF, a cutting-edge Jax-based Python package for differentiable molecular force field modeling. This tool streamlines parameterization and handles complex potentials, including polarizable models, enhancing simulations for systems like water, proteins, and organic compounds. By incorporating AI, DMFF automates parameter fitting and merges machine learning with traditional force fields, enhancing predictive accuracy and adaptability for new molecules. Benefit from efficient GPU-accelerated computations for detailed molecular analysis.
