Non-fork version of #28

[ntBre]

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-benchmark path/to/submission
• 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 (expect there to be two zenodo entries, since two FFs were benchmarked)
• Added the Zenodo DOI to the table in the main README
• Ready to merge!

[ntBre]

/run-optimization-benchmarks submissions/2024-12-19-Sage-2.2.1-lipids-aux/input.yaml

[github-actions]

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

• Run ID: 12419531689
• Triggering actor: github-actions[bot]
• Target branch: jh

[github-actions]

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

• Run ID: [12419531689]
• Triggering actor: github-actions[bot]
• Target branch: jh
• Job status: success
  [12419531689]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/12419531689

[ntBre]

/run-optimization-benchmarks submissions/2024-12-19-Sage-2.2.1-lipids-core/input.yaml

[github-actions]

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

• Run ID: 12425331546
• Triggering actor: github-actions[bot]
• Target branch: jh

[github-actions]

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

• Run ID: [12425331546]
• Triggering actor: github-actions[bot]
• Target branch: jh
• Job status: success
  [12425331546]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/12425331546