chrisagrams/ms2-peptide-replicate-retrieval

MS2 Peptide-Replicate-Retrieval Benchmark A benchmark for evaluating spectrum-embedding models for tandem mass spectrometry (MS2). It is a set of real experimental MS2 spectra, each labelled with the peptide it was identified as (a peptide-spectrum match, PSM), pooled so that every peptide is represented by many replicate acquisitions. The task: does an embedding map replicate spectra of the same peptide close together? 15,649 spectra 1,000 unique peptide/charge labels (≈ 15… See the full description on the dataset page: https://huggingface.co/datasets/chrisagrams/ms2-peptide-replicate-retrieval.