openforcefield · mattwthompson · Apr 28, 2026 · Apr 28, 2026 · Apr 28, 2026 · Apr 28, 2026
diff --git a/plot.py b/plot.py
@@ -39,8 +39,8 @@ def load_benches(ffs) -> list[pandas.DataFrame]:
     ret = list()
     for ff in ffs:
         df = load_bench(Path(ff))
-        for d in ffs[1:]:
-            df = pandas.concat([df, load_bench(Path(d) / ff)])
+        for other_ff in ffs[1:]:
+            df = pandas.concat([df, load_bench(Path(other_ff))])
         ret.append(df)
     return ret
 

diff --git a/submissions/2026-04-28-Rosemary-alpha0-QM-freeze/README.md b/submissions/2026-04-28-Rosemary-alpha0-QM-freeze/README.md
@@ -0,0 +1,4 @@
+Force field file is from [1], filename `proteinbenchmark/data/force-fields/null-0.0.3-4-mer-aaqaa3-1e3-opc3-qm-freeze-NAGL.offxml`
+
+Using code name `Rosemary-alpha0-QM-Freeze`
+[1]: https://github.com/openforcefield/proteinbenchmark/pull/27/commits/6d5655ced9061d1912b71db3370fef23d8e785eb#diff-9f7c597e8e055db1eddadd0a21ddcbcf9d5779a362fc7d5c78db51628becd86d
diff --git a/submissions/2026-04-28-Rosemary-alpha0-QM-freeze/input.yaml b/submissions/2026-04-28-Rosemary-alpha0-QM-freeze/input.yaml
@@ -0,0 +1,3 @@
+forcefield: submissions/2026-04-28-Rosemary-alpha0-QM-freeze/null-0.0.3-4-mer-aaqaa3-1e3-opc3-qm-freeze-NAGL.offxml
+datasets:
+  - datasets/OpenFF-Industry-Benchmark-Season-1-v1.1/cache.json
diff --git a/...26-04-28-Rosemary-alpha0-QM-freeze/null-0.0.3-4-mer-aaqaa3-1e3-opc3-qm-freeze-NAGL.offxml b/...26-04-28-Rosemary-alpha0-QM-freeze/null-0.0.3-4-mer-aaqaa3-1e3-opc3-qm-freeze-NAGL.offxml
diff --git a/submissions/2026-04-28-Rosemary-alpha0-QM-freeze/output/angles.png b/submissions/2026-04-28-Rosemary-alpha0-QM-freeze/output/angles.png
diff --git a/submissions/2026-04-28-Rosemary-alpha0-QM-freeze/output/bonds.png b/submissions/2026-04-28-Rosemary-alpha0-QM-freeze/output/bonds.png