QCArchive User Guide

This section of the documentation is for users who are submitting and managing computations on the QCArchive platform. It is expected that the users will using the QCPortal package, and that they are connecting to an existing QCArchive server.

If you are interested in running your own QCArchive server, please see QCFractal Server User Guide.

• QCPortal Installation & Setup
• Connecting to a server
• Interpreting metadata
• Query Iterators
• Molecules
• Retrieving records
• Submitting computations
• Managing Records
• Using datasets
• Computation Types
• QCPortal API Reference