coltonbh

qcio

A package for structured Quantum Chemistry data.

qcop

A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more.

fastapi

FastAPI framework, high performance, easy to learn, fast to code, ready for production

qcparse

A library for parsing quantum chemistry program output files into structured qcio data objects.

alessio-nginx

A web server that accepts uploads

celery

Distributed Task Queue (development branch)

clspotify

Spotify song downloader without injecting into the windows client

custom-docker-images

Series of oft useful custom images

django

The Web framework for perfectionists with deadlines.

django-graphql-jwt

JSON Web Token (JWT) authentication for Graphene Django

geomeTRIC

Geometry optimization code that includes the TRIC coordinate system

gitignore

A collection of useful .gitignore templates

poetry

Python dependency management and packaging made easy.

py-amqp

amqplib fork

pyberny

Molecular structure optimizer

QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

QCEngine

Quantum chemistry program executor and IO standardizer (QCSchema).

Tidal-Media-Downloader

Download 'TIDAL' Music On Windows/Linux/MacOs (PYTHON/C#)

xtb-python

Python API for the extended tight binding program package

zspotify