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Pull requests: OpenFreeEnergy/openfe-benchmarks

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Pull requests list

Sage-2.3.0 NAGL IB systems
#138 opened Sep 2, 2026 by jthorton Contributor Loading…
Update BenchmarkData to be consistent with results system_group system_name terminology
#137 opened Aug 26, 2026 by jaclark5 Collaborator Loading…
8
Benchmark results
#135 opened Aug 18, 2026 by jaclark5 Collaborator Loading…
1
17
Add GPCR sets
#125 opened Apr 24, 2026 by hannahbaumann Contributor Loading…
1
@hannahbaumann
2
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
5
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
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