spheex

dockovpn

🔐 Out of the box stateless openvpn-server docker image which starts in less than 2 seconds

pivpn

The Simplest VPN installer, designed for Raspberry Pi

echem

eChem: Jupyter book on theoretical chemistry

no-ip

A simple Docker container for running the NO-IP dynamic DNS update script.

rpi-docker-no-ip

Raspberry Pi Docker container for No-IP DNS updater

course-git_github

Introduction à Git et GitHub

nowforwrath.github.io

mesbg-list-builder

(Unoffiicial) A simple and intuitive tool for building your army lists in Middle-Earth Strategy Battle Game (MESBG).

Probabilistic-Programming-and-Bayesian-Methods-for-Hackers

aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)

CustomTkinter

A modern and customizable python UI-library based on Tkinter

Tkinter-By-Example

Learn Tkinter By Example - a free book

precomplex_generator

The precomplex generator is a tool for obtaining suitable input structures for automated transition-state (TS) searches (precomplexes) based on single-ended reaction path optimization algorithms.

CH485---Artificial-Intelligence-and-Chemistry

CH485 - Artificial Intelligence and Chemistry

awesome-public-datasets

A topic-centric list of HQ open datasets.

ExplorerPatcher

This project aims to enhance the working environment on Windows

data-science

:bar_chart: Path to a free self-taught education in Data Science!

selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

dl-chem-101

Example implementations of common machine learning projects in chemistry.

nn-zero-to-hero

Neural Networks: Zero to Hero

get_conformations

generate molecular conformations

PeptideBuilder

A simple Python library to generate model peptides

practical_cheminformatics_tutorials

Practical Cheminformatics Tutorials

rich-cli

Rich-cli is a command line toolbox for fancy output in the terminal

teachopencadd

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

data-science-interviews

Data science interview questions and answers

pure-bash-bible

📖 A collection of pure bash alternatives to external processes.

Python

All Algorithms implemented in Python

openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

openmmforcefields

CHARMM and AMBER forcefields for OpenMM (with small molecule support)