Add minibenchmark notebook - #15
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Removed redundant explanations about the notebook's purpose and sampling reduction.
Updated the README to change 'inspection of the resulting CAPRI evaluation tables' to 'analysis'.
…tro, drop empty cell
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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 notebookREADME.md— new "Interactive notebook" section under Quick Startversions.env— bump haddock3 to2026.8.0, haddock-runner tov4.1.0