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🔺 Ternary plotting library for python with matplotlib
Auxiliary Code Repository for 'Fast and flexible range-separated models for atomistic machine learning'
LAMMPS input script to study bulk devitrification
Sphinx documentation with git submodules for common content
GitHub Action to run arbitrary commands in a TeXLive environment
A great looking and easy-to-use photo-management-system you can run on your server, to manage and share photos.
Wolfram Language kernel for Jupyter notebooks
python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parallelism over Q-points.
python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using MPI parallelism over Q-points.
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, …
Friends don't let friends make certain types of data visualization - What are they and why are they bad.
A simple Lennard-Jones molecular dynamics software
Course on molecular dynamics, 1st yr masters in Physical Sciences (Sciences de la Matière)
GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
A Python package for estimating diffusion properties from molecular dynamics simulations.
Data, in citable form, produced by the Coudert research group
Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories
Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
Use TeX/LaTeX to keep a research diary on your UNIX/Linux system, with useful tools and scripts to simplify the process.
An ongoing work on art&science between Gahel, Eric Bertin & Alex Andrix
The official repository for the AiiDA code
A cross-platform command-line tool to convert images into ascii art and print them on the console. Now supports braille art!
Pyrite is a Blender plugin that imports the atomic motions captured by molecular dynamics simulations. Using Pyrite, these motions can be rendered using Blender's state-of-the-art computer-graphics…
GitPython is a python library used to interact with Git repositories.