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Pull requests: OpenFreeEnergy/cinnabar

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Pull requests list

feat: expose MLE covariance matrix, use it in MLE ddG plot to have proper error propagation
#202 opened May 1, 2026 by jeremyaq Loading…
1
Add CI to ecdf plots using bootstrapping
#201 opened Apr 9, 2026 by jthorton Contributor Loading…
4 tasks
@jthorton
7
test python 3.13 in CI
#197 opened Mar 27, 2026 by atravitz Collaborator Loading…
@atravitz
7
Add support for other estimators
#193 opened Feb 27, 2026 by jthorton Contributor Loading…
4 tasks
1
3
Add pairwise all-to-all analysis
#187 opened Feb 20, 2026 by jthorton Contributor Loading…
1 of 6 tasks
1
9
Add compare and ranking function for FEMaps
#174 opened Jan 16, 2026 by jthorton Contributor Loading…
5 tasks
@IAlibay @hannahbaumann
5
[WIP]: starting implementing classification metrics.
#121 opened May 16, 2024 by RiesBen Loading…
5 tasks
2
Add functions to calculate cycle closure
#107 opened Nov 6, 2023 by hannahbaumann Contributor Loading…
3 tasks
2
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