Search results

Deviation in edge repeats not accounted for in computed uncertainties

Status: Open.

#136 In OpenFreeEnergy/cinnabar;

· nffaruk opened on Jul 31, 2025

MLE DG estimates are wrong for bidirectional RBFE calculations on ligand network.

Status: Open.

#133 In OpenFreeEnergy/cinnabar;

· afroditi-zaki-cresset opened on Jun 10, 2025

Usability Drive (Cinnabar)

Status: Open.

#132 In OpenFreeEnergy/cinnabar;

· jameseastwood opened on Jun 10, 2025

Check that the MLE DG estimates do not depend of the order in which DDG values are fed in

Status: Open.

#126 In OpenFreeEnergy/cinnabar;

· hannahbaumann opened on Nov 22, 2024

Linear regression (R2) fails when boostrapping on very few data points

Status: Open.

#124 In OpenFreeEnergy/cinnabar;

· IAlibay opened on Aug 22, 2024

wrong estimates with FEMap with single experimental value

Status: Open.

#123 In OpenFreeEnergy/cinnabar;

· ijpulidos opened on Jul 10, 2024

MLE ddG errors != calculated ddG errors for open cycle

Status: Open.

#120 In OpenFreeEnergy/cinnabar;

· jeremyaq opened on Apr 30, 2024

Update changelog docs

Status: Open.

#118 In OpenFreeEnergy/cinnabar;

· IAlibay opened on Jan 24, 2024

Add userguide docs

Status: Open.

#117 In OpenFreeEnergy/cinnabar;

· IAlibay opened on Jan 24, 2024

add option for get_absolute_dataframe to shift values

Status: Open.

#111 In OpenFreeEnergy/cinnabar;

· richardjgowers opened on Nov 15, 2023

base class for MLE estimation-like methods

Status: Open.

#109 In OpenFreeEnergy/cinnabar;

· richardjgowers opened on Nov 6, 2023

make FEMap a gufe tokenizable

Status: Open.

#108 In OpenFreeEnergy/cinnabar;

· richardjgowers opened on Nov 6, 2023