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Add paired command-line predictor API - #262

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iskandr merged 1 commit into
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agent/commandline-predict-pairs
Jul 11, 2026
Merged

Add paired command-line predictor API#262
iskandr merged 1 commit into
masterfrom
agent/commandline-predict-pairs

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@iskandr

@iskandr iskandr commented Jul 11, 2026

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Fixes #259.

Summary:

  • Add BaseCommandlinePredictor.predict_pairs(...) and predict_pairs_dataframe(...).
  • Accept either parallel peptide/allele lists or iterable (peptide, allele) pairs.
  • Validate pair alleles against the tool-supported allele list without mutating self.alleles.
  • Group work by allele, run existing peptide command paths once per allele, and reassemble PeptideResult objects in input order.
  • Bump version to 3.31.5.

Validation:

  • pytest tests/test_commandline_predict_pairs.py -q
  • pytest tests/test_allele_batching.py tests/test_commandline_predict_pairs.py -q
  • ./lint.sh
  • ./test.sh (664 passed, 51 skipped, 2 xfailed)

@iskandr
iskandr merged commit c7ca579 into master Jul 11, 2026
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@iskandr
iskandr deleted the agent/commandline-predict-pairs branch July 11, 2026 01:37
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NetMHCpan / NetMHCstabpan: add row-wise paired (peptide, allele) prediction (generalize #257 to command-line predictors)

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