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CONECT records cannot be parsed for systems with >100k atoms

Status: Open.

#702 In OpenFreeEnergy/gufe;

· hannahbaumann opened on Jan 7, 2026

Membrane support: User supplied box vectors

Status: Open.

Task

#701 In OpenFreeEnergy/gufe;

· hannahbaumann opened on Jan 7, 2026

Create a BaseSolventComponent

Status: Open.

Task

#700 In OpenFreeEnergy/gufe;

· hannahbaumann opened on Jan 7, 2026

Modernize <code>pytest</code> temporary directory handling

Status: Open.

#698 In OpenFreeEnergy/gufe;

· ethanholz opened on Dec 19, 2025

update PdbxContainers.py

Status: Open.

#697 In OpenFreeEnergy/gufe;

· atravitz opened on Dec 19, 2025

Add documentation to newly implemented <code>Context</code> class and <code>StorageManager</code>

Status: Open.

#695 In OpenFreeEnergy/gufe;

· ethanholz opened on Dec 19, 2025

add viz functionality to <code>ExplicitMoleculeComponent</code>

Status: Open.

#692 In OpenFreeEnergy/gufe;

· atravitz opened on Dec 11, 2025

Add a context manager to execute_DAG and <code>gufe</code>'s <code>Context</code> class

Status: Open.

#689 In OpenFreeEnergy/gufe;

· ethanholz opened on Dec 5, 2025

Update documentation on deduplication to disk

Status: Open.

#688 In OpenFreeEnergy/gufe;

· ethanholz opened on Dec 5, 2025

[Discussions] How we define endstates

Status: Open.

#686 In OpenFreeEnergy/gufe;

· IAlibay opened on Dec 1, 2025

ChemicalSystem should not have the same Component multiple times.

Status: Open.

#685 In OpenFreeEnergy/gufe;

· IAlibay opened on Nov 25, 2025

KeyError: STEREOATROPCCW when serializing molecules with atropisomeric bonds

Status: Open.

#684 In OpenFreeEnergy/gufe;

· beitom opened on Nov 24, 2025