Skill UI

Access HMDB to search over 220K human metabolites by name, ID, structure, disease or specimen, retrieve chemical/clinical/pathway data, and download spectra for metabolomics workflows.

Query the NIH Metabolomics Workbench via REST API to fetch metabolites, RefMet nomenclature, mass-spec searches, and detailed study datasets for biomarker discovery and metabolomics research.

PyOpenMS provides Python bindings for OpenMS to drive complete mass spectrometry workflows, covering data IO, spectral processing, feature/peptide-protein identification, quantitation, and metabolomics pipelines.

Python bindings to OpenMS for computational mass spectrometry. Analyze proteomics and metabolomics LC-MS/MS data: feature detection, peptide and protein identification, label-free and isobaric quantification, adduct and accurate-mass annotation, plus ready-to-run workflow scripts.