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add AtomMappingScorer type

Status: Open.

#790 In OpenFreeEnergy/gufe;

· atravitz opened on May 27, 2026

Add convenience method to get the difference in formal charge between two SmallMoleculeComponents

Status: Open.

#783 In OpenFreeEnergy/gufe;

· IAlibay opened on Apr 17, 2026

Assign mapping a default value of None in Protocol.validate

Status: Open.

#782 In OpenFreeEnergy/gufe;

· IAlibay opened on Apr 17, 2026

ProtocolUnitResult should have a reference to the ProtocolUnit that created it

Status: Open.

#781 In OpenFreeEnergy/gufe;

· IAlibay opened on Apr 16, 2026

try using pixi

Status: Open.

#776 In OpenFreeEnergy/gufe;

· atravitz opened on Mar 31, 2026

Network-wide validation

Status: Open.

#763 In OpenFreeEnergy/gufe;

· jthorton opened on Mar 18, 2026

·  

v1.13.0

alchemical archive breaks if a letter is in the version name

Status: Open.

#758 In OpenFreeEnergy/gufe;

· atravitz opened on Mar 9, 2026

·  

v1.13.0

expose select test fixtures in the api

Status: Open.

#756 In OpenFreeEnergy/gufe;

· atravitz opened on Mar 4, 2026

Need a contributors guide

Status: Open.

#749 In OpenFreeEnergy/gufe;

· mikemhenry opened on Feb 25, 2026

interrogate pre-commit hook doesn't work when using pixi

Status: Open.

#747 In OpenFreeEnergy/gufe;

· ethanholz opened on Feb 24, 2026

weekly test of minimal deps

Status: Open.

#746 In OpenFreeEnergy/gufe;

· mikemhenry opened on Feb 23, 2026

Cache the density property on ExplicitPDBComponent?

Status: Open.

#735 In OpenFreeEnergy/gufe;

· IAlibay opened on Feb 12, 2026