New submission for protein-null-aaqaa3-3-opc3

[chapincavender]

Submission Checklist

• Created a new directory in the submissions directory containing the YDS input file and optionally a force field .offxml file
• Triggered the benchmark workflow with a PR comment of the form /run-optimization-benchmarks path/to/submission/input.yaml or /run-torsion-benchmarks path/to/submission/input.yaml
• Waited for the workflow to finish and a comment with Job status: success to be posted
• Reviewed the results committed by the workflow
• Published the corresponding Zenodo entry and retrieved the DOI
• Added the Zenodo DOI to the table in the main README
• Ready to merge!

[chapincavender]

/run-optimization-benchmarks submissions/2025-09-19-protein-null-aaqaa3-3-opc3/input.yaml

[github-actions]

A workflow has been dispatched to run the benchmarks for this PR.

• Run ID: 17870813948
• Triggering actor: github-actions[bot]
• Target branch: protein-null-aaqaa3-3-opc3

[github-actions]

A workflow dispatched to run optimization benchmarks for this PR has just finished.

• Run ID: [17870813948]
• Triggering actor: github-actions[bot]
• Target branch: protein-null-aaqaa3-3-opc3
• Job status: failure
  [17870813948]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/17870813948

[chapincavender]

/run-optimization-benchmarks submissions/2025-09-19-protein-null-aaqaa3-3-opc3/input.yaml

[github-actions]

A workflow has been dispatched to run the benchmarks for this PR.

• Run ID: 17871047931
• Triggering actor: github-actions[bot]
• Target branch: protein-null-aaqaa3-3-opc3

[github-actions]

A workflow dispatched to run optimization benchmarks for this PR has just finished.

• Run ID: [17871047931]
• Triggering actor: github-actions[bot]
• Target branch: protein-null-aaqaa3-3-opc3
• Job status: failure
  [17871047931]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/17871047931

[chapincavender]

/run-optimization-benchmarks submissions/2025-09-19-protein-null-aaqaa3-3-opc3/input.yaml

[github-actions]

A workflow has been dispatched to run the benchmarks for this PR.

• Run ID: 17871302241
• Triggering actor: github-actions[bot]
• Target branch: protein-null-aaqaa3-3-opc3

[github-actions]

A workflow dispatched to run optimization benchmarks for this PR has just finished.

• Run ID: [17871302241]
• Triggering actor: github-actions[bot]
• Target branch: protein-null-aaqaa3-3-opc3
• Job status: success
  [17871302241]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/17871302241

[mattwthompson]

I believe this is the associated record: https://zenodo.org/uploads/17163330