Skip to content

Pull requests: OpenFreeEnergy/openfe_analysis

New pull request New
8 Open 49 Closed
8 Open 49 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

[WIP] Apply image shifting by fragment
#124 opened Jul 8, 2026 by hannahbaumann Contributor Loading…
@hannahbaumann
1
Add BoreschRestraintAnalysis class
#123 opened Jul 7, 2026 by hannahbaumann Contributor Loading…
2
2
Example notebook for plotting Boresch restraints from a trajectory
#120 opened Jul 3, 2026 by hannahbaumann Contributor Loading…
2
Fix ligand selection when cofactors share resname UNK
#119 opened Jun 29, 2026 by siddhantkhatod Loading…
1
2
use matplotlib-base instead of matplotlib
#113 opened Jun 2, 2026 by atravitz Contributor • Draft
1
[WIP] Correct elements for hybrid topology transformations that undergo element changes
#108 opened May 26, 2026 by hannahbaumann Contributor Loading…
4
Prolif class implementation
#88 opened Feb 18, 2026 by talagayev Collaborator Loading…
2
@hannahbaumann
40
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! Follow long discussions with comments:>50.