Quantum chemistry and solid state physics software package

Molecular Cellular Automata examples in LAMMPS

A simple game of life in Julia

LAMMPS tutorials for Beginners

Public development project of the LAMMPS MD software package

Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages i…

Animated pipes terminal screensaver

The future of Packmol

☄🌌️ The minimal, blazing-fast, and infinitely customizable prompt for any shell!

A Python implementation of Conway's Game of Life

Some C++ code for basic Molecular Dynamics simulations.

Simple Molecular Dynamics code for Discovery-Driven approach to real gas properties.

Python module for quantum chemistry

a tool for creating Molecular Dynamics-ready models of polymeric systems

tmux source code

Tool to build force field input files for molecular simulation

Visual Interactive Analysis of Molecular Dynamics

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

LAMMPS inputs and data files

LAMMPS tutorials for both beginners and advanced users

GROMACS input files