The MolSSI QCArchive Project#
QCArchive is a specialized platform designed to support computational chemists in the management and execution of large-scale quantum chemistry calculations. Capable of handling data ranging from thousands to millions of computations, it offers an organized database for storing, sharing, retrieving, and analyzing results. QCArchive’s architecture includes a central server (QCFractal), client interface (QCPortal) and computational workers (QCFractalCompute), ensuring a streamlined experience with quantum chemistry computations.