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[OntoMOPs] improvements to CalculationResult Ontology

Status: Open.

#34 In TheWorldAvatar/MOPTools;

· pwvbutler opened on Apr 22, 2026

Add python<3.13 requirement for the python_wrapper module

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#28 In TheWorldAvatar/MOPTools;

· pwvbutler opened on Jan 28, 2026

[OntoMOPs] Annotations in Python-defined ontology

Status: Open.

#20 In TheWorldAvatar/MOPTools;

· simonrihm opened on Jul 29, 2025

[Synthesis Extraction] Automated JSON schema generation

enhancementNew feature or requestNew feature or request

Status: Open.

#19 In TheWorldAvatar/MOPTools;

· simonrihm opened on Jul 29, 2025

[Synthesis Extraction] Step extraction inconsistencies

Status: Open.

#18 In TheWorldAvatar/MOPTools;

· simonrihm opened on Jul 29, 2025

Use only metal atoms when calculating cavity volumes

enhancementNew feature or requestNew feature or request

Status: Open.

#17 In TheWorldAvatar/MOPTools;

· pwvbutler opened on Jul 22, 2025

MOPAssembler: allow for multiple geometries of CBUs in case of conformational flexibility

enhancementNew feature or requestNew feature or request

Status: Open.

#9 In TheWorldAvatar/MOPTools;

· pwvbutler opened on May 12, 2025

MOPAssembler: 2-bent organic CBU binding atoms aligning perpendicular with metal CBU binding atoms

bugSomething isn't workingSomething isn't working

Status: Open.

#8 In TheWorldAvatar/MOPTools;

· pwvbutler opened on May 12, 2025

MOPAssembler: orientation of organic ligands is non-deterministic

bugSomething isn't workingSomething isn't working

Status: Open.

#7 In TheWorldAvatar/MOPTools;

· pwvbutler opened on May 12, 2025

[Synthesis extraction] Dynamic lookup table generation for RAG prompting

Status: Open.

#1 In TheWorldAvatar/MOPTools;

· simonrihm opened on Apr 24, 2025