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.

Getting Started

Get up and running with QCArchive.

To the Quickstart


Overview and basic concepts of the QCArchive project.

To the Overview

User Guide

An in-depth guide for users.

To the User Guide

Server Administrator Guide

Details of how to run and administer a server.

To the Server Admin Guide

Developer Guide

How to contribute to QCArchive.

To the Developer Guide.