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QCFractal
PublicA distributed compute and database platform for quantum chemistry.QCEngine
PublicQuantum chemistry program executor and IO standardizer (QCSchema).zenopy
PublicAn open-source Python library for Zenodo REST APIQCElemental
PublicPeriodic table, physical constants, and molecule parsing for quantum chemistry.molssi-hub
PublicMolSSI Container Hub for Computational Molecular ScienceQCManyBody
Publiccookiecutter-cms
PublicPython-centric Cookiecutter for Molecular Computational Chemistry Packagescovid
PublicMolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm StoreQCArchiveWebsite
Publicmolssi_doc_theme
PublicQCEngineRecords
PublicQCArchiveDemos
PublicQCPortal
Public archivereference_handler
Publicmolssi-poster-latex
Publicml_models_deploy
PublicQCArchiveWebapps
Publicdash-coreui-components
PublicQCSchema
PublicQCFractalDashboard
PublicQCFractalCompute
Publiccookiecutter-docker
Publicqikpropservice
Publicmmelemental
PublicPython implementation of the MMSchema specification. Provides fundamental models for molecular mechanics.mmic_autodock_vina
Publicmmic_docking
Publicmmic_translator
PublicStrategy MMIC translator for MMSchemammic_mda
PublicTactic MMIC translator for MDAnalysis/MMSchemammic_cmd
Public