Search results

use kartograf v2

Status: Open.

#2025 In OpenFreeEnergy/openfe;

· atravitz opened on Jun 18, 2026

use konnektor 0.4.0

Status: Open.

#2024 In OpenFreeEnergy/openfe;

· atravitz opened on Jun 18, 2026

expose contributing guide in docs

Status: Open.

#2023 In OpenFreeEnergy/openfe;

· atravitz opened on Jun 18, 2026

bulk_assign_partial_charges error when one of many molecules fail charge assignment

Status: Open.

#2021 In OpenFreeEnergy/openfe;

· jaclark5 opened on Jun 17, 2026

decide testing best practice: dep package versions

Status: Open.

#2016 In OpenFreeEnergy/openfe;

· atravitz opened on Jun 15, 2026

Decide on an org-wide citation policy

Status: Open.

#2015 In OpenFreeEnergy/openfe;

· atravitz opened on Jun 15, 2026

Add text to "Get Involved" page

Status: Open.

#2014 In OpenFreeEnergy/openfe;

· jameseastwood opened on Jun 15, 2026

Clean up discussions page

Status: Open.

#2013 In OpenFreeEnergy/openfe;

· jameseastwood opened on Jun 15, 2026

Abstract repeated get_uncertainty functions

Status: Open.

#2012 In OpenFreeEnergy/openfe;

· jthorton opened on Jun 15, 2026

Validate ABFE benchmarks on host-guest systems

Status: Open.

Task

#2011 In OpenFreeEnergy/openfe;

· IAlibay opened on Jun 15, 2026

Benchmark ABFE net charges on HSP90 set

Status: Open.

Task

#2010 In OpenFreeEnergy/openfe;

· IAlibay opened on Jun 15, 2026

Validate ABFE net charges against analytical correction.

Status: Open.

#2009 In OpenFreeEnergy/openfe;

· IAlibay opened on Jun 15, 2026