Add BigMHC paired prediction API - #257
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Summary
Fixes #254.
Adds a row-wise
BigMHC.predict_pairs(...)API for explicit peptide/allele pairs. Callers can pass parallelpeptides, alleleslists or an iterable of(peptide, allele)rows; results are returned in input order as onePeptideResultper pair.Impact
Paired neoantigen scoring no longer needs one BigMHC instance per allele or an O(N x A) cross product with diagonal filtering. The existing
predict(peptides)cross-product API now reuses the paired path and keeps its previous return shape.Also adds
predict_pairs_dataframe(...)for the row-wise API.Validation
pytest tests/test_bigmhc_pairs.py -q./lint.sh./test.sh(642 passed, 51 skipped, 2 xfailed)Version
Bumped package version from
3.31.1to3.31.2.