Add Parsley 1.3.1

[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
• Added the Zenodo DOI to the table in the main README
• Ready to merge!

[ntBre]

/run-benchmark submissions/2024-11-13-Parsley-1.3.1/yds.yaml

[github-actions]

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

• Run ID: 11825130461
• Triggering actor: github-actions[bot]
• Target branch: openff-1.3.1

[github-actions]

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

• Run ID: [11825130461]
• Triggering actor: github-actions[bot]
• Target branch: openff-1.3.1
• Job status: failure
  [11825130461]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/11825130461

[ntBre]

I thought this could be salvaged because most of the Zenodo uploads succeeded, but it didn't make it to the environment file, main.py, or the dataset.

I'm just going to use this PR to test fixes to the upload logic, including storing files in a backup GitHub artifact and retrying failed requests in zenodo_upload.py.

[ntBre]

/run-benchmark submissions/2024-11-13-Parsley-1.3.1/yds.yaml

[github-actions]

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

• Run ID: 11861140091
• Triggering actor: github-actions[bot]
• Target branch: openff-1.3.1

[github-actions]

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

• Run ID: [11861140091]
• Triggering actor: github-actions[bot]
• Target branch: openff-1.3.1
• Job status: failure
  [11861140091]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/11861140091

[ntBre]

/run-benchmark submissions/2024-11-13-Parsley-1.3.1/try.yaml

[github-actions]

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

• Run ID: 11865474318
• Triggering actor: github-actions[bot]
• Target branch: openff-1.3.1

[github-actions]

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

• Run ID: [11865474318]
• Triggering actor: github-actions[bot]
• Target branch: openff-1.3.1
• Job status: success
  [11865474318]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/11865474318

[ntBre]

/run-benchmark submissions/2024-11-13-Parsley-1.3.1/yds.yaml

[github-actions]

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

• Run ID: 11865823682
• Triggering actor: github-actions[bot]
• Target branch: openff-1.3.1

[github-actions]

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

• Run ID: [11865823682]
• Triggering actor: github-actions[bot]
• Target branch: openff-1.3.1
• Job status: success
  [11865823682]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/11865823682