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 addresses the challenges of unique requirements from different QM codes and the intricacies of coordinating distributed computational resources.
QCArchive’s comprehensive architecture, from the central server software (QCFractal) to its client interface (QCPortal) and computational workers (QCFractalCompute), ensures a streamlined experience with quantum computations.