All issues

Search results

Remove redundant VDW lambda windows in the AHFE protocol

Status: Open.

Task

#2219 In OpenFreeEnergy/openfe;

· IAlibay opened on Sep 28, 2026

Potential settings issue with main

Status: Open.

#2216 In OpenFreeEnergy/openfe;

· IAlibay opened on Sep 25, 2026

add task-based execution tutorials

Status: Open.

#2215 In OpenFreeEnergy/openfe;

· atravitz opened on Sep 25, 2026

task-based execution: add command to increase max_tries

Status: Open.

#2214 In OpenFreeEnergy/openfe;

· atravitz opened on Sep 25, 2026

·  

1.13.0

Protocol validation errors

Status: Open.

#2208 In OpenFreeEnergy/openfe;

· jthorton opened on Sep 23, 2026

·  

v1.14

docs: link to classes when appropriate

Status: Open.

#2207 In OpenFreeEnergy/openfe;

· atravitz opened on Sep 22, 2026

task-based execution: add helper function to update task status

Status: Open.

#2206 In OpenFreeEnergy/openfe;

· atravitz opened on Sep 22, 2026

speed up openfe status checking

Status: Open.

#2205 In OpenFreeEnergy/openfe;

· atravitz opened on Sep 22, 2026

·  

1.13.0

build docs with pixi

Status: Open.

Task

#2204 In OpenFreeEnergy/openfe;

· atravitz opened on Sep 22, 2026

Documentation Overhaul

Status: Open.

#2203 In OpenFreeEnergy/openfe;

· atravitz opened on Sep 22, 2026

Solvent leg fails with "cutoff distance cannot be greater than half the periodic box size" and SimulationNaNError when using box_shape="dodecahedron" with `solvent_padding=1.2 nm

Status: Open.

#2200 In OpenFreeEnergy/openfe;

· MartinFuentetaja opened on Sep 21, 2026

Boresch restraint search crashes on ligands with three or more fused aromatic rings (get_aromatic_rings: list.remove(x): x not in list)

Status: Open.

#2199 In OpenFreeEnergy/openfe;

· eneskelestemur opened on Sep 19, 2026