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CompOmics / ms2rescore-rs Public

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Add ms2pip feature vector and theoretical m/z computation#11

Merged

RalfG merged 8 commits into

release/0.5CompOmics/ms2rescore-rs:release/0.5from

feat/ms2pip-get-vectorsCompOmics/ms2rescore-rs:feat/ms2pip-get-vectorsCopy head branch name to clipboard

Apr 13, 2026

Conversation Commits8 (8)Checks Files changed

Merged

Add ms2pip feature vector and theoretical m/z computation#11
RalfG merged 8 commits into
release/0.5from
feat/ms2pip-get-vectors

Commits

Commits on Apr 13, 2026

Implement ms2pip_compute_features() for XGBoost feature vectors
RalfG
committed
Implement ms2pip_compute_theoretical_mz() and consolidate shared helpers
RalfG
committed
Register ms2pip functions in pymodule and fix clippy warnings
RalfG
committed
Add Python tests for ms2pip feature vectors and theoretical m/z
RalfG
committed
Add pickle support for FragmentAnnotation and AnnotatedMS2Spectrum
RalfG
committed
Review cleanup: eliminate heap allocations via direct enum matching
RalfG
committed
Fix ms2pip feature vector parity with C code, bump to 0.5.0-alpha.1
RalfG
committed
Add numpy as runtime dependency
RalfG
committed

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