GitHub - jax-md/jax-md: Differentiable, Hardware Accelerated, Molecular DynamicsQuickstart | Reference docs | Paper | NeurIPS 2020 Molecular dynamics is a workhorse of modern computational condensed matter physics. It is frequently used to simulate materials to observe how small scale interactions can give rise to complex large-scale phenomenology. Most molecular dynamics packages (e.g. HOOMD Blue or LAMMPS) are complicated, specialized pieces of code that are many thousands
