Add Sage 2.1.0 benchmark (#9)

* Add Sage 2.1.0 benchmark * Add benchmark results * add plot output * update readme --------- Co-authored-by: root <[email protected]>
openforcefield · Nov 13, 2024 · 5129429 · 5129429
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diff --git a/README.md b/README.md
@@ -46,6 +46,15 @@ internal-coordinate RMSD (ICRMSD) metrics computed by [yammbs][yammbs].
 
 See [datasets/README.md](datasets/README.md)
 
+## Benchmark Results
+
+| Submission   | Description                     | DOI                                                                |
+|--------------|---------------------------------|--------------------------------------------------------------------|
+| [Sage-2.1.0] | Constrained openff-2.1.0.offxml | [10.5281/zenodo.14053221](https://doi.org/10.5281/zenodo.14053221) |
+
+[Sage-2.1.0]: submissions/2024-11-07-Sage-2.1.0
+
+
 <!-- References -->
 [qcsubmit]: https://github.com/openforcefield/openff-qcsubmit
 [yammbs]: https://github.com/openforcefield/yammbs
diff --git a/submissions/2024-11-07-Sage-2.1.0/output/angles.png b/submissions/2024-11-07-Sage-2.1.0/output/angles.png
diff --git a/submissions/2024-11-07-Sage-2.1.0/output/bonds.png b/submissions/2024-11-07-Sage-2.1.0/output/bonds.png