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Add minibenchmark notebook - #15

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Comp-era wants to merge 8 commits into
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add-minibenchmark-notebook
Open

Add minibenchmark notebook#15
Comp-era wants to merge 8 commits into
mainfrom
add-minibenchmark-notebook

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Summary

Adds an interactive Jupyter notebook that walks through the protein–peptide benchmarking workflow end to end

Changes

  • notebook/HADDOCK3_protein_peptide_small_benchmark.ipynb — new notebook
  • README.md — new "Interactive notebook" section under Quick Start
  • versions.env — bump haddock3 to 2026.8.0, haddock-runner to v4.1.0

@Comp-era
Comp-era requested review from VGPReys and amjjbonvin August 30, 2026 06:37
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