Search results

[SepTop] Add warning if restraints are zero?

Status: Open.

#1945 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 17, 2026

[SepTop] lambda_restraints for solvent phase of SepTop all 0.0, should they be 1.0?

Status: Open.

#1944 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 17, 2026

Make _subsample_topology in AFE and SepTop Protocols return the file path?

Status: Open.

#1942 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 16, 2026

Espaloma tests failing with missing DILL_AVAILABLE import

Status: Open.

#1940 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 16, 2026

Review system_validation.get_components's handling of multiple solvation components

Status: Open.

#1938 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 15, 2026

[SepTop] migrate SepTop to use .validate method in Protocol.

Status: Open.

#1936 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 15, 2026

[docs] Adding information on system setup to the userguide

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#1935 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 13, 2026

cli: output file exists handling

Status: Open.

#1934 In OpenFreeEnergy/openfe;

· atravitz opened on Apr 9, 2026

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1.11.0

Potentially problematic ring transformation in hybrid topology RBFE?

Status: Open.

#1929 In OpenFreeEnergy/openfe;

· choutkaj opened on Apr 7, 2026

Benchmark openmm-8.5

Status: Open.

Task

#1928 In OpenFreeEnergy/openfe;

· jameseastwood opened on Apr 7, 2026

Create a mini-demo of Exorcist that fits on a slide or two

Status: Open.

Task

#1927 In OpenFreeEnergy/openfe;

· jameseastwood opened on Apr 7, 2026

Review feasibility of H5MD format for multistate reporter writing

Status: Open.

Task

#1926 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 7, 2026