Switch to OpenFE Inputs And Adds Retrospective Summary #9

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Merged

badisa merged 19 commits into main from task/reprepare-systems

Jan 16, 2026

datasets/bayer_macrocycles/brd4/README.md

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+    # brd4_structure.pdb
+    Retrieved from OpenFE's IndustryBenchmarks2024 repo at tag V1.0.0
+    Removed Co-factors, Waters or Ions: True