Search results

compute_platform should have a fastest option

Status: Open.

#1883 In OpenFreeEnergy/openfe;

· mikemhenry opened on Mar 20, 2026

Add ProteinMembraneComponent validation to Protocols

Status: Open.

#1879 In OpenFreeEnergy/openfe;

· hannahbaumann opened on Mar 19, 2026

Update userguide CLI docs to mention resuming

Status: Open.

#1877 In OpenFreeEnergy/openfe;

· IAlibay opened on Mar 19, 2026

Should standard state correction be 0 or None when there's no correction?

Status: Open.

#1875 In OpenFreeEnergy/openfe;

· IAlibay opened on Mar 17, 2026

update tests to use tmp_path instead of tmpdir

Status: Open.

#1872 In OpenFreeEnergy/openfe;

· atravitz opened on Mar 11, 2026

Failing membrane energy test

Status: Open.

#1871 In OpenFreeEnergy/openfe;

· jthorton opened on Mar 11, 2026

Deduplicate UnitMixins

Status: Open.

#1868 In OpenFreeEnergy/openfe;

· IAlibay opened on Mar 10, 2026

add automated performance (timing) benchmarking

Status: Open.

#1867 In OpenFreeEnergy/openfe;

· atravitz opened on Mar 9, 2026

Modify quickrun to allow resuming

Status: Open.

Task

#1855 In OpenFreeEnergy/openfe;

· jameseastwood opened on Feb 23, 2026

Create a BarostatSettings class

2.0

Status: Open.

#1853 In OpenFreeEnergy/openfe;

· hannahbaumann opened on Feb 23, 2026

·  

v2.0.0

Add a trajectory convert CLI command

enhancementNew feature or requestNew feature or request

Status: Open.

#1852 In OpenFreeEnergy/openfe;

· hannahbaumann opened on Feb 17, 2026

Add internal docs on how to update pooch files on repo

Status: Open.

#1847 In OpenFreeEnergy/openfe;

· IAlibay opened on Feb 15, 2026