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Pull requests: OpenFreeEnergy/gufe

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Pull requests list

Warehouse/fix shared storage
#780 opened Apr 10, 2026 by atravitz Contributor Draft
2 tasks
bump micromamba github action version
#779 opened Apr 8, 2026 by atravitz Contributor Loading…
2 tasks
Parse zipped pdbs
#777 opened Apr 1, 2026 by atravitz Contributor Loading…
2 tasks
Epic: warehouse
#753 opened Feb 27, 2026 by atravitz Contributor Draft
2 tasks
Epic: Viz Migration
#748 opened Feb 24, 2026 by mikemhenry Contributor Draft
2 tasks
[DNM] add immutability test to mixin
#724 opened Feb 6, 2026 by atravitz Contributor Draft
2 tasks
Update file handling POSIX error
#719 opened Jan 28, 2026 by jaclark5 Contributor Draft
1 of 2 tasks
[DNM] typing exploration
#694 opened Dec 18, 2025 by atravitz Contributor Draft
2 tasks
[WIP] Move ligand atom mapper from openfe to gufe
#693 opened Dec 12, 2025 by atravitz Contributor Draft
2 tasks
[WIP] Handle hex36 indices
#663 opened Oct 23, 2025 by hannahbaumann Contributor Loading…
1 of 2 tasks
use autosummary templates
#604 opened Aug 21, 2025 by atravitz Contributor Draft
add test to make sure the charge of a residue matches openmm
#537 opened Apr 24, 2025 by mikemhenry Contributor Loading…
2 tasks
[DNM] Prototype using pablo to load pdb files
#503 opened Mar 7, 2025 by jthorton Contributor Loading…
2 tasks
Add name sanitization
#480 opened Feb 12, 2025 by jthorton Contributor Loading…
2 tasks done
[WIP] - Fe setup structure alchemical network planning
#364 opened Oct 17, 2024 by RiesBen Contributor Loading…
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
fixes issue #274
#282 opened Feb 1, 2024 by richardjgowers Contributor Loading…
[WIP] Use StorageManager in execute_DAG
#258 opened Dec 1, 2023 by dwhswenson Member Draft
3 of 4 tasks
Adding multiMapping plots enhancement New feature or request
#237 opened Sep 15, 2023 by RiesBen Contributor Loading…
[WIP DNM] Per-Unit Execution
#234 opened Sep 13, 2023 by dwhswenson Member Draft
[WIP] Use PDBInf
#135 opened Feb 22, 2023 by richardjgowers Contributor Loading…
ProTip! Exclude everything labeled bug with -label:bug.