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  • qcio Public

    A package for structured Quantum Chemistry data.

    Python 4 1 MIT License Updated Jul 16, 2024

  • qcop Public

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

    Python 3 2 MIT License Updated Jul 13, 2024

  • qcparse Public

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

    Python 2 1 Updated Jul 11, 2024

  • xtb-python Public

    Forked from grimme-lab/xtb-python

    Python API for the extended tight binding program package

    Python GNU Lesser General Public License v3.0 Updated Jul 5, 2024

  • rdkit-stubs Public

    Forked from postera-ai/rdkit-stubs
    Python Apache License 2.0 Updated Apr 3, 2024

  • poetry Public

    Forked from python-poetry/poetry

    Python dependency management and packaging made easy.

    Python MIT License Updated Mar 1, 2024

  • Tidal-Media-Downloader Public

    Forked from yaronzz/Tidal-Media-Downloader

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

    Python Apache License 2.0 Updated Nov 1, 2023

  • clspotify Public

    Forked from agent255/clspotify

    Spotify song downloader without injecting into the windows client

    Python GNU General Public License v3.0 Updated Jun 4, 2023

  • zspotify Public

    Forked from petermg/zspotify
    Python GNU General Public License v3.0 Updated May 25, 2023

  • QCElemental Public

    Forked from MolSSI/QCElemental

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

    Python BSD 3-Clause "New" or "Revised" License Updated Mar 28, 2023

  • pyberny Public

    Forked from jhrmnn/pyberny

    Molecular structure optimizer

    Python Mozilla Public License 2.0 Updated Dec 17, 2022

  • geomeTRIC Public

    Forked from leeping/geomeTRIC

    Geometry optimization code that includes the TRIC coordinate system

    Python Other Updated Sep 28, 2022

  • alessio-nginx Public

    A web server that accepts uploads

    Python Updated Jul 22, 2022

  • QCEngine Public

    Forked from MolSSI/QCEngine

    Quantum chemistry program executor and IO standardizer (QCSchema).

    Python BSD 3-Clause "New" or "Revised" License Updated Jun 24, 2022

  • gitignore Public

    Forked from github/gitignore

    A collection of useful .gitignore templates

    Creative Commons Zero v1.0 Universal Updated Apr 9, 2022

  • celery Public

    Forked from celery/celery

    Distributed Task Queue (development branch)

    Python Other Updated Mar 31, 2022

  • fastapi Public

    Forked from tiangolo/fastapi

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

    Python 1 MIT License Updated Mar 2, 2021

  • py-amqp Public

    Forked from celery/py-amqp

    amqplib fork

    Python Other Updated Feb 21, 2021

  • custom-docker-images Public

    Series of oft useful custom images

    Dockerfile Updated Mar 20, 2020

  • django Public

    Forked from django/django

    The Web framework for perfectionists with deadlines.

    Python BSD 3-Clause "New" or "Revised" License Updated Feb 26, 2020

  • django-graphql-jwt Public

    Forked from flavors/django-graphql-jwt

    JSON Web Token (JWT) authentication for Graphene Django

    Python MIT License Updated Dec 4, 2019