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gather_rms_data is wrong for system with cofactors since both ligand and cofactors get assigned resname UNK

Status: Open.

#118 In OpenFreeEnergy/openfe_analysis;

· hannahbaumann opened on Jun 25, 2026

Analysis for Boresch-style restraint stability

Status: Open.

#117 In OpenFreeEnergy/openfe_analysis;

· hannahbaumann opened on Jun 15, 2026

Add simulation visualization notebook to docs

Status: Open.

#116 In OpenFreeEnergy/openfe_analysis;

· hannahbaumann opened on Jun 15, 2026

Switch RMSD analysis in gather_rms_data to the symmetry corrected RMSD.

Status: Open.

#109 In OpenFreeEnergy/openfe_analysis;

· hannahbaumann opened on May 27, 2026

Rename "ligand_wander" to "ligand_com_drift" or similar

Status: Open.

#104 In OpenFreeEnergy/openfe_analysis;

· hannahbaumann opened on May 22, 2026

Parallelization of RMSD analyses

Status: Open.

#102 In OpenFreeEnergy/openfe_analysis;

· hannahbaumann opened on May 22, 2026

FEReader / trajectory cleanup flaky on CI

Status: Open.

#84 In OpenFreeEnergy/openfe_analysis;

· hannahbaumann opened on Feb 3, 2026

Add HAS_INTERNET to tests

Status: Open.

#79 In OpenFreeEnergy/openfe_analysis;

· hannahbaumann opened on Feb 3, 2026

convert_units = False should return radians & nm for dimensions

Status: Open.

#42 In OpenFreeEnergy/openfe_analysis;

· IAlibay opened on Jan 19, 2025

Easy access to non-hybrid topologies for endstates

Status: Open.

#34 In OpenFreeEnergy/openfe_analysis;

· tlhr opened on Sep 25, 2024

prolif hook

Status: Open.

#22 In OpenFreeEnergy/openfe_analysis;

· richardjgowers opened on Oct 9, 2023

Correlation coefficient between dynamic and thermodyamic properties

Status: Open.

#18 In OpenFreeEnergy/openfe_analysis;

· jameseastwood opened on Aug 11, 2023