Sage 2.1.0 unconstrained on Industry Benchmark v1.2, replicate 2

[lilyminium]

How flaky is the optimization and which molecules fluctuate the most? This is replicate 2 of 3.

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!

[lilyminium]

/run-optimization-benchmarks submissions/2025-11-13-Sage-2.1.0-unconstrained-rep2/input.yaml

[github-actions]

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

• Run ID: 19317829994
• Triggering actor: github-actions[bot]
• Target branch: sage-210-unconstrained-rep-2

[github-actions]

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

• Run ID: [19317829994]
• Triggering actor: github-actions[bot]
• Target branch: sage-210-unconstrained-rep-2
• Job status: success
  [19317829994]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/19317829994