Public development project of the LAMMPS MD software package

Collective variables library for molecular simulation and analysis programs

Software Suite for Advanced General Ensemble Simulations

Molecular dynamics proxy application based on Kokkos

Molecular dynamics proxy application based on Cabana

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

custom LAMMPS fix used for Brownian Dynamics Simulation (Overdamped Langevin)

LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials

Real time molecular dynamics in the browser using LAMMPS

LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.

HMM implementation featuring Deal.II (FE) and LAMMPS (MD)

LAMMPS-GUI - The graphical interface for learning and running LAMMPS

Visualization and editing of periodic molecular structure files.

Examples and utilities for molecular dynamics simulations

Collection of LAMMPS plugins

C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphous/glassy/polymer materials.

An isothermal implementation of Smoothed Dissipative Particle Dynamics for LAMMPS

Wrapper for LAMMPS simulation data into DLPack data structures

A custom package for LAMMPS, adding a fix command for calculating forces with Python.

Updates to the USER-DPD package in the LAMMPS MD software package.