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cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry PackagesQCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).QCFractal
A distributed compute and database platform for quantum chemistry.QCElemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.QCSchema
A Schema for Quantum ChemistryQCPortal
A client interface to the QCArchive Project (read-only image of QCFractal)covid
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm StoreMIRP
MolSSI Integral Reference ProjectQCArchiveExamples
Getting started docs, examples, tutorials, and use cases.mmelemental
Python implementation of the MMSchema specification. Provides fundamental models for molecular mechanics.mmic_docking
Strategy MMIC for molecular dockingQCArchiveWebsite
The QCArchive landing page.QCEngineRecords
A collection of input and output files for QCEngine parsers.molssi-branding-guidelines
General guidelines for using MolSSI logo, colors, and fonts.MQCAS
History information for the data in the MolSSI QCArchive Server (MQCAS)zenopy
An open-source Python library for Zenodo REST APImolssi-hub
MolSSI Container Hub for Computational Molecular Sciencedash-coreui-components
CoreUI Components for DashEEX
The Energy Expression Exchange for Molecular Dynamics.mmic_autodock_vina
Tactic MMIC for molecular docking using AutoDock VinaQCArchiveDemos
Demo notebooks for QCArchiveQCArchiveInfrastructureWebsite
python_template
Do not use! Use Cookiecutter-CMSQCFractalDashboard
Dashboard for the QCFractal Servermmic
Molecular Mechanics Interoperable Componentskraken
A docker application for molecular librariesQCArchiveWebapps
QCArchive website (production on Azure)mmic_optim_gmx
Tactic MMIC for energy optimization using gmxqcarchive-sphinx-theme
A sphinx theme for all QCArchive documentation.ml_models_deploy
Machine Learning model deploymentmmschema
A specification for particle & molecular mechanicsmmic_openff
Tactic MMIC translator for OpenFF/MMSchemareference_handler
dqm_client
mmic_parmed
Tactic MMIC translator for ParmEd/MMSchemaqikpropservice
cmselemental
Basic models for the Computational Molecular Sciences (CMS)cookiecutter-mmic
cookiecutter-docker
Cookiecutter template to create a Docker development environment.QCFractalCompute
QCArchive/QCFractal distributed compute workersLove Open Source and this site? Check out how you can help us