/tools/QCFractal

QCFractal

MolSSI/QCFractal

159 stars53 forksPythonWebsiteAdded February 4, 2026
summary

QCFractal is a distributed compute and database platform that facilitates the execution and management of large-scale quantum chemistry calculations. It allows computational chemists to store, retrieve, and analyze extensive datasets generated from quantum chemistry computations.

description

A distributed compute and database platform for quantum chemistry.

topics

quantum-chemistrydistributed-computingpythondatabase-platformcomputational-chemistry

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