ChemistryAtlas Code
nwchemgit/nwchem
Quantum chemistry and simulationGitHubsource codechemistrycomputational-chemistrydensity-functional-theoryelectronic-structure-calculationshartree-fockmolecular-simulationnwchemparallel-computingquantum-chemistry
NWChem: Open Source High-Performance Computational Chemistry
Why it is useful: Quantum chemistry and simulation repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 604 stars, 187 forks, primary language: Fortran.
Homepage: http://nwchemgit.github.io
Citation: GitHub repository: nwchemgit/nwchem