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Pull requests: OpenFreeEnergy/openfe-benchmarks

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Pull requests list

Add brd4 Tsai dataset
#121 opened Apr 14, 2026 by hannahbaumann Contributor Loading…
@hannahbaumann
Add bayer macrocycle datasets
#120 opened Apr 13, 2026 by hannahbaumann Contributor Loading…
@hannahbaumann
4
AlchemicalArchive example
#119 opened Mar 27, 2026 by jthorton Contributor Loading…
11
Create freesolv and mnsol subsets
#118 opened Mar 26, 2026 by jaclark5 Collaborator Loading…
@jaclark5
19
Add results from the openmm840 qa
#117 opened Mar 18, 2026 by jthorton Contributor Loading…
5
Add SepTop BACE dataset
#116 opened Mar 18, 2026 by hannahbaumann Contributor Loading…
4
Add SepTop example script
#115 opened Mar 17, 2026 by hannahbaumann Contributor Loading…
@jthorton
8
Charge change interpolation testing
#105 opened Feb 12, 2026 by jthorton Contributor • Draft
[WIP] Result submissions readme and example
#100 opened Feb 10, 2026 by jaclark5 Collaborator • Draft
4
ProTip! Follow long discussions with comments:>50.