Add Sage 2.1.0 benchmark

[ntBre]

No description provided.

[ntBre]

/run-benchmark submissions/2024-11-07-Sage-2.1.0/yds.yaml

[github-actions]

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

• Run ID: 11729983094
• Triggering actor: github-actions[bot]
• Target branch: sage-2.1.0

[mattwthompson]

Suggested change

	forcefield: openff-2.1.0.offxml
	forcefield: openff_unconstrained-2.1.0.offxml

See recent discussion on Slack - assuming you want to use the unconstrained version, that is

[ntBre]

Thanks, I think you're right. I'm planning just to let this one run to make sure I didn't break anything with the last PR (I should probably set up some actual test CI soon) and then I'll open another PR with the unconstrained version.

[github-actions]

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

• Run ID: [11729983094]
• Triggering actor: github-actions[bot]
• Target branch: sage-2.1.0
• Job status: success
  [11729983094]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/11729983094

[ntBre]

Just rebased onto master to get the new plotting script.

[ntBre]

The record has been published to Zenodo with DOI: https://doi.org/10.5281/zenodo.14053221

Please add this to the main README table before merging.