openff-qcsubmit
Automated tools for submitting molecules to QCFractal
Automated tools for submitting molecules to QCFractal
To install this package, run one of the following:
The OpenFF QCSubmit framework aims to facilitate curating and contributing new quantum chemical (QC) datasets to the QCArchive (or any other QCFractal instance), as well as to retrieve already computed datasets.
Summary
Automated tools for submitting molecules to QCFractal
Last Updated
Oct 3, 2025 at 00:24
License
MIT
Total Downloads
75.2K
Supported Platforms
GitHub Repository
https://github.com/openforcefield/openff-qcsubmitDocumentation
https://openff-qcsubmit.readthedocs.io