glotzerlab/hoomd-blue

Public development project of the LAMMPS MD software package

Differentiable, Hardware Accelerated, Molecular Dynamics

OpenMM is a toolkit for molecular simulation using high performance GPU code.

Graphics Processing Units Molecular Dynamics

💫 An open-source multi-purpose N-body code.

OpenMC Monte Carlo Code

Performance-Portable Particle-in-Cell Simulations for the Exascale Era ✨

Torch-native, batchable, atomistic simulations.

A deep learning package for many-body potential energy representation and molecular dynamics