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Pull requests: OpenFreeEnergy/openfe_analysis

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Pull requests list

[pre-commit.ci] pre-commit autoupdate
#97 opened Apr 6, 2026 by pre-commit-ci bot Loading…
1
Refactor of universe creation and applying transformations
#93 opened Feb 27, 2026 by hannahbaumann Loading…
1
[WIP] Add analysis for symmetry corrected RMSD
#92 opened Feb 27, 2026 by hannahbaumann • Draft
1
@hannahbaumann
Refactor RMSD analyses into MDAnalysis AnaysisBase classes
#90 opened Feb 20, 2026 by hannahbaumann Loading…
@IAlibay @jthorton
10
Prolif class implementation
#88 opened Feb 18, 2026 by talagayev Loading…
8
[DNM] Refactor rms output to dataclass
#76 opened Jan 30, 2026 by hannahbaumann • Draft
@hannahbaumann
1
[DNM] Refactor rmsd.py
#75 opened Jan 29, 2026 by hannahbaumann Loading…
2 tasks done
1
@hannahbaumann
12
Torsion Distribution plotting/analysis enhancement New feature or request
#20 opened Sep 26, 2023 by RiesBen Loading…
3 of 4 tasks
1
@jthorton
11
ProTip! Updated in the last three days: updated:>2026-04-04.