All pull requests

Pull requests

• Docs - Explanation pages for the refactored representation

  #168·joelaforet opened Nov 12, 2026Contributor·3 of 8 tasks·

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  1

• Fix code broken by renames in the refactor stack

  #167·joelaforet opened Nov 12, 2026Contributor·2 of 4 tasks·

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  1

• Interfaces - Read mBuild positions back onto an existing MuPT hierarchy

  #166·joelaforet opened Nov 11, 2026Contributor·2 of 5 tasks·

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  13

• [pre-commit.ci] pre-commit autoupdate

  #165·pre-commit-ci[bot] opened Nov 9, 2026Bot·

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  1

• Interfaces - Update MDAnalysis exporter to newstyle repr

  analysisdevelopmentinterface
  #159·timbernat opened Nov 4, 2026Collaborator·3/3·9 tasks·

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  1

  9

  

• Interfaces - Added mBuild and GMSO export

  developmentenhancementinterfaceMuPT 1.0priority:high
  #158·timbernat opened Nov 4, 2026Collaborator·2/3·12 tasks·

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  · MuPT 1.0
  3

  1

  

• Interfaces - Updated RDKit converters

  chemistrydevelopmentinterfacepriority:high
  #157·timbernat opened Nov 4, 2026Collaborator·1/3·2 of 10 tasks·

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  1

  

• Fully-featured Primitive resolution shift operations

  #155·timbernat opened Nov 3, 2026Collaborator·9/9·12 tasks·

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  2

• Implementing predicate-based cross-section extraction from Primitive hierarchies

  #154·timbernat opened Nov 3, 2026Collaborator·8/9·3 of 9 tasks·

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  3

• Implementing updated linker algorithm for graph-based connectivity

  #153·timbernat opened Nov 3, 2026Collaborator·7/9·10 tasks·

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  2

• Enabling multiscale-aware Primitive neighbor connection

  #152·timbernat opened Nov 3, 2026Collaborator·5/9·10 of 14 tasks·

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  2

• Curating suite of predicate and properties evaluable on Primitives

  #151·timbernat opened Nov 2, 2026Collaborator·6/9·6 of 13 tasks·

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  2

• Endowing Primitive subtypes with hierarchy operations

  #148·timbernat opened Oct 31, 2026Collaborator·4/9·6 of 9 tasks·

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  2

  

• Improve cohesion of Primitive (Primitive subtypes)

  #144·timbernat opened Oct 29, 2026Collaborator·3/9·9 of 15 tasks·

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  1

  2

• Implement Primitive base class

  #142·timbernat opened Oct 29, 2026Collaborator·2/9·10 of 17 tasks·

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  2

• Laying groundwork for MuPT representation refactor

  api-breakingdevelopmentinternal
  #141·timbernat opened Oct 28, 2026Collaborator·1/9·8 of 17 tasks·

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  1

  

• [Draft] Port the FlowerMD stereochemistry guard to MuPT

  #128·joelaforet opened Oct 13, 2026Contributor·

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  1

• Implement hierarchy and neighbor awareness for Connectors

  optimizationrepresentation
  #124·timbernat opened Oct 9, 2026Collaborator·3/3·11 of 16 tasks·

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  · MuPT 1.0
  20

  

• Abstracting Connector antialignment routine implementations

  optimizationrepresentation
  #123·timbernat opened Oct 9, 2026Collaborator·2/3·7 of 13 tasks·

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  · MuPT 1.0
  20

  

• Add easy-to-use dependency checkers and module inspection

  enhancementinternal
  #92·timbernat opened Aug 1, 2026Collaborator·9 of 14 tasks·

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  · MuPT 1.0
  23

  

• SMILES to PolymerizeIt! ready files

  interfacereactions
  #36·tramp037 opened Feb 20, 2026·6 of 13 tasks·

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  · MuPT 1.0
  5