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Pull requests: OpenFreeEnergy/openfe

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Pull requests list

deprecate perses functionality
#1857 opened Feb 23, 2026 by atravitz Loading...
3 of 7 tasks
Fix 1-4 interpolation for core-dummy interactions
#1856 opened Feb 23, 2026 by jthorton Loading...
2 of 7 tasks
[WIP] Modify quickrun to allow resuming
#1848 opened Feb 16, 2026 by IAlibay Loading...
1 of 7 tasks
1.10.0
feat: exorcist worker
#1833 opened Feb 7, 2026 by ethanholz Loading...
1 of 7 tasks
ci: run slow tests separately
#1827 opened Feb 4, 2026 by atravitz • Draft
7 tasks
add optional deps handling and testing
#1826 opened Feb 4, 2026 by atravitz • Draft
7 tasks
[WIP] feat: quickrun with warehouse
#1824 opened Feb 3, 2026 by ethanholz • Draft
1 of 7 tasks
[WIP] address warnings in test suite
#1816 opened Jan 29, 2026 by atravitz • Draft
7 tasks
Add resuming support in AFE Protocols
#1808 opened Jan 22, 2026 by IAlibay • Draft
1 of 7 tasks
Add resume support to HybridTop simulation unit
#1774 opened Jan 3, 2026 by IAlibay Loading...
3 of 7 tasks
vendor perses atom mapper
#1637 opened Oct 28, 2025 by mikemhenry • Draft
1 of 2 tasks
[WIP] Net charge support in ABFEs
#1614 opened Oct 23, 2025 by IAlibay Loading...
2 tasks
[WIP] add contributing guidelines
#1580 opened Oct 14, 2025 by atravitz • Draft
1 of 2 tasks
Membrane support
#1561 opened Oct 9, 2025 by hannahbaumann Loading...
8 of 9 tasks
first pass on a QA script
#1306 opened May 27, 2025 by mikemhenry • Draft
2 tasks
Adjust plain MD simulation PDB writing & production step counter
#1302 opened May 26, 2025 by IAlibay Loading...
2 tasks done
Zip test data
#1226 opened Apr 7, 2025 by atravitz • Draft
1 of 2 tasks
add air gapped data upload docs
#1156 opened Feb 21, 2025 by atravitz • Draft
2 tasks
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