Skip to content

Pull requests: OpenFreeEnergy/openfe

New pull request New
40 Open 893 Closed
40 Open 893 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

min pin interchange
#1901 opened Mar 25, 2026 by atravitz Loading…
3 of 7 tasks
2
update feedstock CI test for v1
#1900 opened Mar 25, 2026 by atravitz Loading…
3 of 7 tasks
1
2
[WIP] membrane CLI prototype
#1896 opened Mar 24, 2026 by atravitz • Draft
7 tasks
include output json in caching hash
#1890 opened Mar 24, 2026 by atravitz Loading…
3 of 7 tasks
@IAlibay @atravitz
4
Plain MD restart support
#1884 opened Mar 23, 2026 by jthorton Loading…
7 tasks
1
@jthorton
12
Update the userguide CLI docs to mention resuming
#1878 opened Mar 19, 2026 by IAlibay Loading…
1 of 7 tasks
1.10.0
1
@atravitz
7
epic: warehouse
#1864 opened Mar 5, 2026 by atravitz • Draft
7 tasks
@atravitz
2
[WIP/DNM] Use DummyContextCache for SepTop for speedup of long range correction calculation
#1863 opened Mar 5, 2026 by hannahbaumann Loading…
1 of 7 tasks
1
[DNM] debug ligand network roundtripping
#1861 opened Mar 4, 2026 by atravitz • Draft
7 tasks
3
Speed up HTF creation
#1858 opened Feb 25, 2026 by jthorton Loading…
2 of 7 tasks
@IAlibay
8
Fix 1-4 interpolation for core-dummy interactions
#1856 opened Feb 23, 2026 by jthorton Loading…
2 of 7 tasks
@hannahbaumann
4
Modify quickrun to allow resuming
#1848 opened Feb 16, 2026 by IAlibay Loading…
4 of 7 tasks
1.10.0
@atravitz
25
[DNM] test to see if new numba solver works in openfe
#1843 opened Feb 12, 2026 by mikemhenry • Draft
7 tasks
@mikemhenry
6
feat: exorcist worker
#1833 opened Feb 7, 2026 by ethanholz Loading…
1 of 7 tasks
@atravitz
5
ci: run slow tests separately
#1827 opened Feb 4, 2026 by atravitz • Draft
7 tasks
3
add optional deps handling and testing
#1826 opened Feb 4, 2026 by atravitz • Draft
7 tasks
2
[WIP] feat: quickrun with warehouse
#1824 opened Feb 3, 2026 by ethanholz • Draft
1 of 7 tasks
@atravitz
1
[WIP] address warnings in test suite
#1816 opened Jan 29, 2026 by atravitz • Draft
7 tasks
2
[WIP] CLI: refactor to use QuickrunResult dataclass
#1789 opened Jan 14, 2026 by atravitz • Draft
7 tasks
@atravitz
2
[WIP] Net charge support in ABFEs
#1614 opened Oct 23, 2025 by IAlibay Loading…
2 tasks
1
7
[WIP] add contributing guidelines
#1580 opened Oct 14, 2025 by atravitz • Draft
1 of 2 tasks
@atravitz
20
Membrane support
#1561 opened Oct 9, 2025 by hannahbaumann Loading…
9 tasks done
1
@IAlibay
149
move network plotting to konnektor priority:medium
#1522 opened Sep 18, 2025 by atravitz • Draft
1 of 2 tasks
1.11.0
@atravitz
3
add cuda pin to conda lock generation
#1496 opened Sep 3, 2025 by atravitz • Draft
2 tasks
@mikemhenry
3
first pass on a QA script
#1306 opened May 27, 2025 by mikemhenry • Draft
2 tasks
5
ProTip! Mix and match filters to narrow down what you’re looking for.