The Molecular Science Software Institute

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

covid Public
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

HTML 24 46 10 4 Updated Dec 24, 2021
mmic_autodock_vina Public
Tactic MMIC for molecular docking using AutoDock Vina

Python 2 BSD-3-Clause 2 0 0 Updated Dec 22, 2021
mmic_cmd Public
Generic MMIC for command-line execution

Python 0 BSD-3-Clause 2 0 1 Updated Dec 20, 2021
mm_portal Public

Sass 0 1 0 0 Updated Dec 17, 2021
QCFractal Public
A distributed compute and database platform for quantum chemistry.

Python 105 BSD-3-Clause 37 59 (1 issue needs help) 13 Updated Dec 8, 2021
mmic_mda Public
Tactic MMIC translator for MDAnalysis/MMSchema

Python 0 BSD-3-Clause 2 2 0 Updated Dec 8, 2021
QCEngine Public
Quantum chemistry program executor and IO standardizer (QCSchema).

Python 104 BSD-3-Clause 58 27 (1 issue needs help) 9 Updated Dec 7, 2021
mmic_parmed Public
Tactic MMIC translator for ParmEd/MMSchema

Python 1 BSD-3-Clause 2 4 0 Updated Dec 6, 2021
QCElemental Public
Periodic table, physical constants, and molecule parsing for quantum chemistry.

Python 98 BSD-3-Clause 54 23 (1 issue needs help) 5 Updated Dec 2, 2021
mmelemental Public
Python implementation of the MMSchema specification. Provides fundamental models for molecular mechanics.

Python 8 BSD-3-Clause 3 2 0 Updated Dec 1, 2021

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