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openff-qcsubmit

Community

Automated tools for submitting molecules to QCFractal

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::openff-qcsubmit

Usage Tracking

0.57.0
0.56.0
0.55.0
0.54.0
0.53.0
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Downloads (Last 6 months): 0

Description

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.

About

Summary

Automated tools for submitting molecules to QCFractal

Last Updated

Oct 3, 2025 at 00:24

License

MIT

Total Downloads

75.2K

Supported Platforms

noarch