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27 fix feature separate composite score grid search from aqs benchmark and add instanexus optimize cli#28

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marcoreverenna merged 3 commits into
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27-fix-feature-separate-composite-score-grid-search-from-aqs-benchmark-and-add-instanexus-optimize-cli
Apr 6, 2026
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27 fix feature separate composite score grid search from aqs benchmark and add instanexus optimize cli#28
marcoreverenna merged 3 commits into
mainfrom
27-fix-feature-separate-composite-score-grid-search-from-aqs-benchmark-and-add-instanexus-optimize-cli

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…_combination

Replace AQS weights (0.35/0.25/0.25/0.15) with the Composite Score
formula as defined in Reverenna et al., bioRxiv 2025:
  0.5 * coverage + 0.3 * N50 + 0.1 * (1 - scaffolds_count) + 0.1 * max_length

Additional fixes:
- add max_length to evaluate_combination return dict
- fix FileNotFoundError when output_folder='' via tempfile.TemporaryDirectory
- fix numpy int64 JSON serialization with .item()
- add _build_instanexus_command for ready-to-run CLI output
Add optimize.py as a thin entry point delegating to grid_search.main().
Register instanexus-optimize in [project.scripts] and add scikit-learn>=1.3
as a core dependency (required by MinMaxScaler in the grid search).
…utilities

Integrate two genuinely new functions from utils.py into analyze_optimization.py:
- combine_json_to_csv: walks output dirs, merges JSON stats into a single CSV
- plot_coverages_from_runs: barplots of contig/scaffold coverage across runs
@marcoreverenna marcoreverenna merged commit dc06b69 into main Apr 6, 2026
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@marcoreverenna marcoreverenna deleted the 27-fix-feature-separate-composite-score-grid-search-from-aqs-benchmark-and-add-instanexus-optimize-cli branch April 6, 2026 11:56
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[Fix + Feature] Separate composite score (grid search) from AQS (benchmark) and add instanexus-optimize CLI

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