Monte Carlo and Molecular Dynamics Simulation Package

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

Real time molecular dynamics in the browser using LAMMPS

MiniMD Molecular Dynamics Mini-App

The d-SEAMS C++ core engine

⚡ general purpose coarse-grained molecular dynamics simulation package

ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.

A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying

CHAP is a tool for the functional annotation of ion channel structures:

PCA and normal mode analysis of proteins

A 3D interactive program for molecular dynamics

A simulations software (C++ with CUDA) for modeling assembly and disassemby of microtubules - main chemotherapeutic target in the cell

Molecular Dynamics Trajectory Analysis Tools

Loop extrusion module with LAMMPS

Repository for molar crate and its dependencies

Features Based Conformational Clustering of MD trajectories. See details at:

MODE-TASK plugin for PyMOL

Data Analysis of MD Simulation

A fast, OpenMP parallelised C++ package that calculates the radial distribution of various local order parameters for water droplets from MD trajectories.

Molecular dynamics simulator implemented with the verlet algorirthm.