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

Data Analysis of MD Simulation

An implementation of overdamped Langevin dynamics with tools for calculating mean first passage time and mean square displacement.

A Python toolkit designed for managing output files produced by LAMMPS, a Molecular Dynamics package.

Mean Square Displacement for particles tracking--Brownian motion