aimd
A tiny package to compute the dynamics of stochastic and molecular simulations
pyiron - an integrated development environment (IDE) for computational materials science.
A simple and fast python library to handle the data generated from molecular dynamics simulations
This add-on to pymatgen provides tools for analyzing diffusion in materials.
MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
XDATCAR_toolkit- A tool for convert XDATCAR to PDB
Tools for analysing molecular dynamics simulations using site occupations
A Python suite for manipulating VASP input and output
A Python package for estimating diffusion properties from molecular dynamics simulations.
Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
An open library for the analysis of molecular dynamics trajectories