Search results

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

Review Repex Sampler proposal for OpenMM

Status: Open.

Task

#1925 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 7, 2026

Benchmark performance changes since May 2025

Status: Open.

Task

#1924 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 7, 2026

Create base units for Protocols.

Status: Open.

#1923 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 7, 2026

SepTop: consider moving equilibrations into separate units

Status: Open.

#1922 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 7, 2026

Add "equilibration" unit

Status: Open.

#1921 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 7, 2026

Add resume support to SepTop run unit for multistate sampling bit.

Status: Open.

#1920 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 7, 2026

SepTop: unify execute / run behaviour with hybrid and AFE protocols

Status: Open.

#1919 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 7, 2026

Move units, settings and protocol to separate files for SepTop

Status: Open.

#1918 In OpenFreeEnergy/openfe;

· IAlibay opened on Apr 7, 2026