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feat/add examples#5

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Thematiq merged 3 commits intomasterfrom
feat/add_examples
Feb 24, 2026
Merged

feat/add examples#5
Thematiq merged 3 commits intomasterfrom
feat/add_examples

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  • Fix issues in PyBBT
  • Add example notebook

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Pull request overview

This pull request adds an example Jupyter notebook demonstrating the usage of the bbt-test package and fixes bugs in the PyBBT implementation. The changes primarily focus on improving the rope_comparison_control_table method and refactoring test data for better maintainability.

Changes:

  • Fixed logic in rope_comparison_control_table to correctly classify models as better/worse/equivalent/unknown relative to a control model
  • Added comprehensive example notebook (01_simple_bbt_comparison.ipynb) with molecular benchmarking data
  • Refactored test constants into module-level variables for improved code organization
  • Replaced coverage with pytest-cov in development dependencies
  • Added validation for unexpected keyword arguments in decorated functions
  • Exposed ALL_PROPERTIES_COLUMNS as a class attribute for external use

Reviewed changes

Copilot reviewed 10 out of 12 changed files in this pull request and generated 1 comment.

Show a summary per file
File Description
uv.lock Updated dependency lock file to add pytest-cov and tomli (transitive dependency)
pyproject.toml Replaced coverage with pytest-cov in dependency groups
bbttest/bbt/py_bbt.py Fixed rope_comparison_control_table logic to use raw interpretation symbols; exposed ALL_PROPERTIES_COLUMNS
bbttest/bbt/_utils.py Added validation for unexpected keyword arguments
bbttest/bbt/_types.py Added weak_interpretation_raw and strong_interpretation_raw to column types
tests/regression/test_benchmarking_mol.py Refactored test data into constants; added new test for rope_comparison_control_table
tests/bbt/test__utils.py Added test for unexpected keyword argument validation
examples/01_simple_bbt_comparison.ipynb New comprehensive example notebook with explanations
datasets/benchmarking_mol.csv Added molecular benchmarking dataset for examples
README.md Added link to example notebook
Makefile Added ruff-fix target and made test-all depend on it
.gitignore Added patterns to ignore coverage files and notebooks (except examples)

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@Thematiq Thematiq merged commit 1b54102 into master Feb 24, 2026
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2 participants