The Molecular Science Software Institute

icon indicating a website link http://molssi.org icon indicating an email [email protected]

icon location A nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists. [MolSSI]

Results 8 repositories owned by The Molecular Science Software Institute

cookiecutter-cms

364
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88
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Python-centric Cookiecutter for Molecular Computational Chemistry Packages

verified publisher icon MolSSI

QCElemental

132
Stars
68
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Periodic table, physical constants, and molecule parsing for quantum chemistry.

verified publisher icon MolSSI

QCEngine

160
Stars
79
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Quantum chemistry program executor and IO standardizer (QCSchema).

verified publisher icon MolSSI

QCFractal

144
Stars
48
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A distributed compute and database platform for quantum chemistry.

verified publisher icon MolSSI

QCSchema

93
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36
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A Schema for Quantum Chemistry

verified publisher icon MolSSI

covid

27
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49
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MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

verified publisher icon MolSSI

MIRP

23
Stars
2
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MolSSI Integral Reference Project

verified publisher icon MolSSI

QCPortal

35
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14
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A client interface to the QCArchive Project (read-only image of QCFractal)

verified publisher icon MolSSI