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Force field assignment as a separate object on <code>Transformation</code> outside of <code>Settings</code>, similar to <code>Mapping</code>

questionFurther information is requestedFurther information is requested

Status: Open.

#143 In OpenFreeEnergy/gufe;

· dotsdl opened on Feb 28, 2023

Determine ComponentMapping approach to ChemicalSystems from perspective of a Protocol

questionFurther information is requestedFurther information is requested

Status: Open.

#144 In OpenFreeEnergy/gufe;

· dotsdl opened on Feb 28, 2023

gufe: Network Planning Stage - make this part ready for new methods.

enhancementNew feature or requestNew feature or request

Status: Open (in progress).

OpenFreeEnergy/gufenumber 346

#346 In OpenFreeEnergy/gufe;

· RiesBen opened on Sep 11, 2024

Update solventcomponent to encompass all composition properties

Status: Open (in progress).

OpenFreeEnergy/gufenumber 262

#262 In OpenFreeEnergy/gufe;

· IAlibay opened on Dec 27, 2023

Set Python and core package support policy in line with SPEC 0?

ecosystem-standards

questionFurther information is requestedFurther information is requested

Status: Open.

#351 In OpenFreeEnergy/gufe;

· dotsdl opened on Oct 3, 2024

Update vendored openff-models to use "new" models from Interchange

Status: Open.

#331 In OpenFreeEnergy/gufe;

· IAlibay opened on Jul 22, 2024

Add <code>Protocol</code> class attribute <code>supports_extensions</code>, which subclasses must set to indicate whether or not they support <code>extends</code> on <code>Protocol.create</code>

module-protocols

Status: Open.

#388 In OpenFreeEnergy/gufe;

· dotsdl opened on Nov 7, 2024

Review the <code>Settings</code> class and its defaults

Status: Open.

#373 In OpenFreeEnergy/gufe;

· IAlibay opened on Oct 25, 2024

remove support for loading uncompressed jsons in v2

Status: Open.

#449 In OpenFreeEnergy/gufe;

· atravitz opened on Dec 17, 2024

Remove use and definitions of <code>serialize_numpy</code> and <code>deserialize_numpy</code> from <code>gufe.molhashing</code>

Status: Open.

#487 In OpenFreeEnergy/gufe;

· ianmkenney opened on Feb 18, 2025

Validate default value for Settings models

Status: Open.

#491 In OpenFreeEnergy/gufe;

· ianmkenney opened on Feb 25, 2025

Identify all <code>DeprecationWarning</code>s present; drop in release v2.0

Status: Open.

#513 In OpenFreeEnergy/gufe;

· dotsdl opened on Mar 18, 2025

clean up public API

Status: Open.

#528 In OpenFreeEnergy/gufe;

· atravitz opened on Apr 15, 2025

Allow for ProteinComponent (or really any "multi-molecule" Component) to be converted to either an Interchange object or an OpenFF Topology

Status: Open.

#476 In OpenFreeEnergy/gufe;

· IAlibay opened on Feb 1, 2025

Mapping should default to None in Protocol methods

Status: Open.

#643 In OpenFreeEnergy/gufe;

· IAlibay opened on Oct 14, 2025

Change repr for quantities

Status: Open.

#655 In OpenFreeEnergy/gufe;

· IAlibay opened on Oct 21, 2025

<code>LigandNetwork</code> and <code>AlchemicalNetwork</code> provenance information

enhancementNew feature or requestNew feature or request

Status: Open.

#420 In OpenFreeEnergy/gufe;

· jthorton opened on Nov 22, 2024

Add "base" Settings classes

Status: Open.

#490 In OpenFreeEnergy/gufe;

· IAlibay opened on Feb 25, 2025