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Modernize molplotly: pyproject.toml, drop JupyterDash#36

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wjm41 wants to merge 2 commits intomainfrom
claude/refactor-molecular-viz-Gmdoa
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Modernize molplotly: pyproject.toml, drop JupyterDash#36
wjm41 wants to merge 2 commits intomainfrom
claude/refactor-molecular-viz-Gmdoa

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@wjm41 wjm41 commented Mar 17, 2026

Summary

  • Migrate from setup.py to pyproject.toml for modern Python packaging (PEP 621)
  • Replace deprecated JupyterDash with standard Dash, which now natively supports Jupyter
  • Expand test coverage with comprehensive tests for add_molecules including edge cases, error handling, and SVG rendering
  • Update CI workflow to use the modernized package setup
  • Add PLAN.md documenting cleanup and modernization roadmap

Test plan

  • Verify pip install . works with the new pyproject.toml
  • Run pytest tests/ to confirm all tests pass
  • Test add_molecules in a Jupyter notebook to verify Dash integration
  • Check that the GitHub Actions CI workflow passes

https://claude.ai/code/session_0117V87rftVNjK2yCo3xZK63

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