matchms
bysynthetic-sciences· 59 skills
Spectral similarity and compound identification for metabolomics. Use for comparing mass spectra, computing similarity scores (cosine, modified cosine), and identifying unknown compounds from spectral libraries. Best for metabolite identification, spectral matching, library searching. For full LC-MS/MS proteomics pipelines use pyopenms.
How to install matchms?
synthetic-sciences/openscience/matchms
$npx -y skills add synthetic-sciences/openscience --skill matchmsInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/synthetic-sciences/openscience" --skill "synthetic-sciences/openscience/matchms"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/synthetic-sciences/openscience" that are relevant to the current task. Run `npx skills add "https://github.com/synthetic-sciences/openscience"` and select the relevant skills, then follow their instructions.
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