Skip to content

Pull requests: OpenFreeEnergy/gufe

New pull request New
25 Open 362 Closed
25 Open 362 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

Warehouse/fix shared storage
#780 opened Apr 10, 2026 by atravitz Contributor • Draft
2 tasks
1
bump micromamba github action version
#779 opened Apr 8, 2026 by atravitz Contributor Loading…
2 tasks
2
Parse zipped pdbs
#777 opened Apr 1, 2026 by atravitz Contributor Loading…
2 tasks
@mikemhenry
10
Epic: warehouse
#753 opened Feb 27, 2026 by atravitz Contributor • Draft
2 tasks
@atravitz
6
Epic: Viz Migration
#748 opened Feb 24, 2026 by mikemhenry Contributor • Draft
2 tasks
@mikemhenry @atravitz
2
[DNM] try to vendor bits of openmm code to drop full openmm dependency
#740 opened Feb 16, 2026 by atravitz Contributor • Draft
2 tasks
1
2
[DNM] add immutability test to mixin
#724 opened Feb 6, 2026 by atravitz Contributor • Draft
2 tasks
3
Update file handling POSIX error
#719 opened Jan 28, 2026 by jaclark5 Contributor • Draft
1 of 2 tasks
7
[dnm] modifications needed restoring runs and showing compound SMILES
#717 opened Jan 26, 2026 by jandom • Draft
1 of 2 tasks
1
[DNM] typing exploration
#694 opened Dec 18, 2025 by atravitz Contributor • Draft
2 tasks
2
[WIP] Move ligand atom mapper from openfe to gufe
#693 opened Dec 12, 2025 by atravitz Contributor • Draft
2 tasks
@atravitz
2
[WIP] Handle hex36 indices
#663 opened Oct 23, 2025 by hannahbaumann Contributor Loading…
1 of 2 tasks
11
use autosummary templates
#604 opened Aug 21, 2025 by atravitz Contributor • Draft
@atravitz
1
Proposal for adding get_convergence method to ProtocolResult
#599 opened Aug 9, 2025 by dotsdl Member • Draft
2
add test to make sure the charge of a residue matches openmm
#537 opened Apr 24, 2025 by mikemhenry Contributor Loading…
2 tasks
@IAlibay
3
[DNM] Prototype using pablo to load pdb files
#503 opened Mar 7, 2025 by jthorton Contributor Loading…
2 tasks
@jthorton
1
Add name sanitization
#480 opened Feb 12, 2025 by jthorton Contributor Loading…
2 tasks done
1
19
[WIP] - Fe setup structure alchemical network planning
#364 opened Oct 17, 2024 by RiesBen Contributor Loading…
1
gufe: Network Planning Stage - make this part ready for new methods. enhancement New feature or request
#346 opened Sep 11, 2024 by RiesBen Contributor Loading… v2.0
2
@RiesBen @atravitz
25
fixes issue #274
#282 opened Feb 1, 2024 by richardjgowers Contributor Loading…
1
Update solventcomponent to encompass all composition properties
#262 opened Dec 27, 2023 by IAlibay Member Loading… v2.0
1
11
[WIP] Use StorageManager in execute_DAG
#258 opened Dec 1, 2023 by dwhswenson Member • Draft
3 of 4 tasks
11
Adding multiMapping plots enhancement New feature or request
#237 opened Sep 15, 2023 by RiesBen Contributor Loading…
1
@jthorton
12
[WIP DNM] Per-Unit Execution
#234 opened Sep 13, 2023 by dwhswenson Member • Draft
@richardjgowers
1
[WIP] Use PDBInf
#135 opened Feb 22, 2023 by richardjgowers Contributor Loading…
1
ProTip! Exclude everything labeled bug with -label:bug.