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Add a trajectory convert CLI command

enhancementNew feature or requestNew feature or request

Status: Open.

#1852 In OpenFreeEnergy/openfe;

· hannahbaumann opened on Feb 17, 2026

Add internal docs on how to update pooch files on repo

Status: Open.

#1847 In OpenFreeEnergy/openfe;

· IAlibay opened on Feb 15, 2026

Add docs about force field choices and enumerate all the possible small molecule force fields.

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#1840 In OpenFreeEnergy/openfe;

· IAlibay opened on Feb 12, 2026

·  

1.10.0

Large variation in rbfe results

Status: Open.

#1838 In OpenFreeEnergy/openfe;

· tomsyme opened on Feb 11, 2026

Prototype execute_DAG that can do resuming

Status: Open.

#1836 In OpenFreeEnergy/openfe;

· IAlibay opened on Feb 10, 2026

Problem with Ligand COM drift and RMSD graphs (png)

Status: Open.

#1834 In OpenFreeEnergy/openfe;

· BillSwope opened on Feb 9, 2026

Support for biomolecular mutations (Protein/DNA/RNA base modifications) in free energy calculations

Status: Open.

#1812 In OpenFreeEnergy/openfe;

· Heezch opened on Jan 26, 2026

Add charge generation provenance

Status: Open.

#1810 In OpenFreeEnergy/openfe;

· jthorton opened on Jan 26, 2026

Better document the <code>gather</code> report default option and the limit of 3 edges for dg reports

Status: Open.

#1807 In OpenFreeEnergy/openfe;

· IAlibay opened on Jan 22, 2026

Add new tests for abfe gather

Status: Open.

#1804 In OpenFreeEnergy/openfe;

· IAlibay opened on Jan 22, 2026

update logging handling

Status: Open.

#1801 In OpenFreeEnergy/openfe;

· atravitz opened on Jan 20, 2026

Add getter to yield MDAnalysis Universes in the protocol results

Status: Open.

#1799 In OpenFreeEnergy/openfe;

· IAlibay opened on Jan 16, 2026