Can an AI Agent Run Your Mass Spec Pipeline? Benchmarking the PyOpenMS Skill
A reproducible 250-run study of feature detection, adduct grouping, quantification, and identification, run by an AI agent with and without the pyOpenMS skill.
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1 K-Dense article on Metabolomics — research automation, benchmarks, and case studies from the K-Dense team.
A reproducible 250-run study of feature detection, adduct grouping, quantification, and identification, run by an AI agent with and without the pyOpenMS skill.