matchms
MA
Python library for fuzzy comparison of mass spectrum data and other Python objects
Updated 14 months ago
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spec2vec is a novel similarity measure for comparing mass spectrometry data, which learns peak representations using Word2Vec.
Spec2vec is a novel spectral similarity score inspired by a natural language processing algorithm -- Word2Vec. Where Word2Vec learns relationships between words in sentences, spec2vec does so for mass fragments and neutral losses in MS/MS spectra. The spectral similarity score is based on spectral embeddings learnt from the fragmental relationships within a large set of spectral data.
Advancing our understanding of molecular mechanisms of health and disease
Python library for fuzzy comparison of mass spectrum data and other Python objects