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mm_portal

mm_workflows

Examples of MM-based workflows

molssi-branding-guidelines

General guidelines for using MolSSI logo, colors, and fonts.

molssi-hub

MolSSI Container Hub for Computational Molecular Science

molssi-poster-latex

molssi_doc_theme

https://molssi.github.io/molssi_doc_theme/index.html

mqcas

History information for the data in the MolSSI QCArchive Server (MQCAS)

python_template

Do not use! Use Cookiecutter-CMS

qcarchive-sphinx-theme

A sphinx theme for all QCArchive documentation.

qcarchivedemos

Demo notebooks for QCArchive

qcarchiveexamples

Getting started docs, examples, tutorials, and use cases.

qcarchiveinfrastructurewebsite

qcarchivewebapps

QCArchive website (production on Azure)

qcarchivewebsite

The QCArchive landing page.

qcelemental

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

qcengine

Quantum chemistry program executor and IO standardizer (QCSchema).

qcenginerecords

A collection of input and output files for QCEngine parsers.

qcfractal

A distributed compute and database platform for quantum chemistry.

qcfractalcompute

QCArchive/QCFractal distributed compute workers

qcfractaldashboard

Dashboard for the QCFractal Server

qcmanybody

Intermolecular many-body expansion with QCArchive integration

qcportal

A client interface to the QCArchive Project (read-only image of QCFractal)

qcschema

A Schema for Quantum Chemistry

qikpropservice

reference_handler

tensor-interfaces

A place to store information for the tensor discussions and possible specifications.

zenopy

An open-source Python library for Zenodo REST API