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

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

Real time molecular dynamics in the browser using LAMMPS

LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials

Molecular dynamics proxy application based on Kokkos

Visualization and editing of periodic molecular structure files.

Molecular dynamics proxy application based on Cabana

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

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

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

Adds Orb Model functionality to LAMMPS via Python wrapping

Examples and utilities for molecular dynamics simulations

An isothermal implementation of Smoothed Dissipative Particle Dynamics for LAMMPS

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

Collection of LAMMPS plugins

LAMMPS is one of the most popular Molecular Dynamic (MD) packages and is widely used in the field of physics, chemistry and materials simulation. Layered Materials Force Field (LMFF) is our expansion of the LAMMPS potential function based on the Tersoff potential and inter-layer potential (ILP) in LAMMPS. LMFF is designed to study layered materi…

Loop extrusion module with LAMMPS

Lightweight typed JavaScript/TypeScript wrapper around LAMMPS