Search results

Scientific output improvements

Status: Open.

#122 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Add documentation / tutorials for legacy API

nice-to-have

priority:low

Status: Open.

Task

#121 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Update legacy API docs

nice-to-have

priority:low

Status: Open.

Task

#120 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Add user guide info for core concepts

nice-to-have

priority:low

Status: Open.

Task

#119 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Improve coverage for untested portions of the codebases

nice-to-have

priority:low

Status: Open.

Task

#118 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Update code to Python 3.11+

nice-to-have

priority:low

Status: Open.

Task

#117 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Deduplicate scorer code

nice-to-have

priority:low

Status: Open.

Task

#116 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Make sure duecredit is exposed in the right places

Status: Open.

Task

#115 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Remove unittest style code entries in legacy files

Status: Open.

Task

#114 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Deprecate the legacy API?

Status: Open.

Task

#113 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Code / API improvements

Status: Open.

#112 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025

Test LomapAtomMapper properly as a GufeTokenizable using the Mixin

Status: Open.

Task

#111 In OpenFreeEnergy/Lomap;

· IAlibay opened on Nov 21, 2025