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Pull requests: OpenFreeEnergy/openfe_analysis

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Pull requests list

[DNM] Refactor reader.py
#77 opened Jan 30, 2026 by hannahbaumann Loading…
4
[DNM] Refactor rms output to dataclass
#76 opened Jan 30, 2026 by hannahbaumann Loading…
[DNM] Refactor rmsd.py
#75 opened Jan 29, 2026 by hannahbaumann Loading…
1 of 2 tasks
1
Add api docs
#74 opened Jan 29, 2026 by hannahbaumann Loading…
2
Update doc strings
#72 opened Jan 23, 2026 by hannahbaumann Loading…
1
@hannahbaumann
3
Fixing flaky tests
#70 opened Jan 19, 2026 by hannahbaumann Loading…
5 tasks done
2
@IAlibay @atravitz
12
[ WIP ] Update RFE_analysis command
#65 opened Dec 18, 2025 by hannahbaumann Loading…
@hannahbaumann
1
Fix multi chain RMSD analysis
#64 opened Dec 18, 2025 by hannahbaumann Loading…
1
@jthorton
7
[WIP] fix pooch data cacheing
#61 opened Dec 16, 2025 by atravitz Loading…
@atravitz
1
adds trjconv command enhancement New feature or request
#28 opened Nov 23, 2023 by richardjgowers Loading…
@richardjgowers
3
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! Adding no:label will show everything without a label.