An Azure DevOps extension for rendering mermaid diagrams.

PySCF website and documentation

Overworld tileset compiler for Pokémon Generation III decompilation projects

This repository provides easy automation scripts for building a HPC environment in Azure. It also includes examples to build e2e environment and run some of the key HPC benchmarks and applications.

All conda-forge feedstocks, in one convenient place

Azure HPC/AI VM Images

Automatically track which applications you use and for how long.

An experimental local optimization package

An experimental local optimization package

RoMin is a robust minimizer

general GTO integrals for quantum chemistry

CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry

HORTON: Helpful Open-source Research TOol for N-fermion systems

WebGL accelerated JavaScript molecular graphics library

An optimized libcint branch for X86 architecture

Python module for quantum chemistry

An example program that embeds Python and NumPy using static linking and frozen modules.

Numpy Tutorial. Examples taken from http://wiki.scipy.org/Tentative_NumPy_Tutorial

Practice in "NumPy Beginner's Guide 2nd edition"

Python-based continuous integration testing framework; your pull requests are more than welcome!

python scripts

A collection of design patterns/idioms in Python

HORTON: Helpful Open-source Research TOol for N-fermion systems