All issues

Search results

Name the pairing of a Warehouse + TaskDB

Status: Open.

#2167 In OpenFreeEnergy/openfe;

· atravitz opened on Aug 20, 2026

add separate CLI command for generating a task db and warehouse from alchemical network

Status: Open.

#2165 In OpenFreeEnergy/openfe;

· atravitz opened on Aug 20, 2026

·  

1.13.0

add results gathering CLI compatible with warehouse

Status: Open.

#2164 In OpenFreeEnergy/openfe;

· atravitz opened on Aug 20, 2026

·  

1.13.0

improve Warehouse validation

Status: Open.

#2162 In OpenFreeEnergy/openfe;

· atravitz opened on Aug 20, 2026

·  

v1.14

task_db and warehouse construction should use alchemical_network name by default.

Status: Open.

#2161 In OpenFreeEnergy/openfe;

· atravitz opened on Aug 20, 2026

·  

1.13.0

add additional views and filters for openfe status

Status: Open.

#2160 In OpenFreeEnergy/openfe;

· atravitz opened on Aug 20, 2026

·  

v1.14

set_and_check_new_positions warning isn't very helpful

Status: Open.

#2159 In OpenFreeEnergy/openfe;

· IAlibay opened on Aug 18, 2026

Update residue names for the PlainMDProtocol

Status: Open.

#2158 In OpenFreeEnergy/openfe;

· IAlibay opened on Aug 18, 2026

No delta G value produced eventually

Status: Open.

#2130 In OpenFreeEnergy/openfe;

· boningyang47-bit opened on Aug 10, 2026

worker-based execution: add basic results gathering support

Status: Open.

#2119 In OpenFreeEnergy/openfe;

· atravitz opened on Aug 3, 2026

Change default partial charge protocol settings to be "from force field"

Status: Open.

#2117 In OpenFreeEnergy/openfe;

· IAlibay opened on Jul 31, 2026

Add a "forcefield" optional to assign_partial_charges

Status: Open.

#2116 In OpenFreeEnergy/openfe;

· IAlibay opened on Jul 31, 2026