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Pull requests: OpenFreeEnergy/openfe
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Catch errors in bulk charge assignment
#2180
opened Sep 2, 2026 by
jthorton
Collaborator
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8 tasks
[WIP] Prototype trailblazing equilibration unit
#2176
opened Aug 28, 2026 by
jthorton
Collaborator
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8 tasks
Let the force field resolve the partial charge assignment
#2152
opened Aug 12, 2026 by
jthorton
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4 of 8 tasks
Non-deterministic charge validation
#2132
opened Aug 11, 2026 by
jthorton
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4 of 8 tasks
[WIP] SepTop Boresch solvent prototype
#2028
opened Jun 19, 2026 by
hannahbaumann
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7 tasks
Support SmallMoleculeComponents as host in ABFE Protocol
#2020
opened Jun 17, 2026 by
IAlibay
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1 of 7 tasks
Net charge abfe -fix alchemical ion selection heuristic
#1992
opened Jun 11, 2026 by
aqemia-benedict-tan
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1 task done
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