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Human Metabolome Explorer
hmdb-database
K-Dense-AI/claude-scientific-skills
492
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.
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Matchms Spectral Matching
matchms
K-Dense-AI/claude-scientific-skills
180
Matchms processes LC-MS/MS spectra with import/export tools, filtering, and multiple similarity scorers so you can identify metabolites, match libraries, and automate reproducible workflows.
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Mass Spectra Analysis and Identification
matchms
K-Dense-AI/scientific-agent-skills
486
Matchms is an open-source Python library designed for comprehensive mass spectrometry data processing. It handles spectrum comparison, calculates various similarity scores (like cosine and modified cosine), and aids in identifying unknown compounds. It is highly valuable for metabolomics and spectral library searching pipelines.
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