hejamu Goto Github PK

alchemlyb

the simple alchemistry library

ase

autopkg-recipes

Recipes for AutoPkg

chia-docker

A set of Dockerfiles and helper scripts for running a full Chia node & plotters in Docker

cups_quota

A simple CUPS quota system based on Python and SQLite

docker-minecraft-server

Docker image that provides a Minecraft Server that will automatically download selected version at startup

docker-osticket

Alpine-based osTicket image with Nginx and PHP-FPM.

flamel

A plugin based free energy estimation tool using alchemlyb

gromacs

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

hejamu.github.io

interfaceff2gro

A python script to prepare GROMACS input files using INTERFACE forcefield

iocage-ix-plugins

Official iXSystems iocage plugins for FreeNAS and TrueOS

libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics

maicos-feedstock

A conda-smithy repository for maicos.

margarita

Web frontend for reposado

mdacli

Command line interface for MDAnalysis

mdakits

The MDAnalysis Toolkits Registry

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

mdanalysis.github.io

MDAnalysis home page mdanalysis.org as GitHub pages.

munki-docker

docker container for a munki pkg repo

munki-tap

Automate adding brew packages to munki

munkireport-docker

munkireport-php

A reporting tool for munki

physpraktikumi

pmda

Parallel algorithms for MDAnalysis

recipes

Recipes for AutoPkg

schlaicha.github.io

My personal/research webpage

schwimmen-kartenspiel

Das Kartenspiel "Schwimmen" clientseitig via p5.js und serverseitig via node.js programmiert.

spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

ugm2023

Materials for the 2023 MDAnalysis User Group Meeting