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OpenFreeEnergy / openfe_analysis Public

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[WIP] Add analysis for symmetry corrected RMSD#92

Draft

hannahbaumann wants to merge 6 commits into

rmsd_refactor_analysisbaseOpenFreeEnergy/openfe_analysis:rmsd_refactor_analysisbasefrom

spyrmsdOpenFreeEnergy/openfe_analysis:spyrmsdCopy head branch name to clipboard

Conversation Commits6 (6)Checks Files changed

Draft

[WIP] Add analysis for symmetry corrected RMSD#92
hannahbaumann wants to merge 6 commits into
rmsd_refactor_analysisbasefrom
spyrmsd

Commits

Commits on Feb 27, 2026

First attempt at implementing a symmetry corrected RMSD
hannahbaumann
committed

Commits on May 19, 2026

Merge branch 'rmsd_refactor_analysisbase' into spyrmsd
hannahbaumann
authored
Some updates
hannahbaumann
committed
Merge branch 'spyrmsd' of https://github.com/OpenFreeEnergy/openfe_analysis into spyrmsd
hannahbaumann
committed
Merge branch 'rmsd_refactor_analysisbase' into spyrmsd
hannahbaumann
authored
Add tests symmetry RMSD
hannahbaumann
committed

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