Public development project of the LAMMPS MD software package

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

Development version of plumed 2

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

Powerful, efficient particle trajectory analysis in scientific Python.

The ESPResSo package

Collective variables library for molecular simulation and analysis programs

p4vasp, the VASP Visualization Tool

LOOS: a lightweight object-oriented structure analysis library

Enables computations over a set of particles in N-dimensional space

High-performance operations for neural network potentials

Monte Carlo and Molecular Dynamics Simulation Package

Python library written in C++ for calculation of local atomic structural environment

Real time molecular dynamics in the browser using LAMMPS

A solar system simulator with Verlet, using OpenGL for displaying.

Tinker-GPU: Next Generation of Tinker with GPU Support

The source of the votca-csg and xtp packages

MiniMD Molecular Dynamics Mini-App

LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials

Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.