Compare mass spectra from MGF, mzML, and MSP files using cosine similarity.
npx skills add https://github.com/felixboehm/biochem-allergy --skill matchms-felixboehm
Please help me install this Agent Skill. Skill: matchms Source: https://github.com/felixboehm/biochem-allergy/tree/main/.claude/skills/matchms Command: npx skills add https://github.com/felixboehm/biochem-allergy --skill matchms-felixboehm
This Skill simplifies the complex process of analyzing mass spectrometry data, enabling faster and more accurate compound identification and comparison.
Use the matchms skill to compare spectra in 'unknowns.mgf' against 'library.mgf' using cosine similarity.
High-intent search queries and answers about installing and using this skill.
Spectral similarity is calculated by comparing mass spectra using algorithms like cosine or modified cosine to find matches in spectral libraries. This skill requires the matchms library to import, filter, and score spectra from formats like MGF, mzML, and MSP.
Compound identification matches unknown spectra against known spectral libraries. You can import your experimental data in formats like MGF or MSP, filter the spectra, and compare them to identify potential metabolites.
Yes, you can import, filter, and standardize mass spectrometry data from MGF, mzML, and MSP formats. The skill uses the matchms library to preprocess spectra before performing similarity scoring or compound identification.
The best way to compare unknown mass spectra against a library is by using cosine similarity algorithms. This skill facilitates direct comparison of unknown spectra against large reference libraries to identify matching compounds.
Yes, matchms supports mass spectrometry data analysis for both metabolomics and proteomics research. It enables spectral similarity calculations, compound identification from libraries, and data preprocessing across both scientific domains.
Supported mass spectrometry data formats include MGF, mzML, and MSP. The skill imports spectra from these formats to perform filtering, standardization, and subsequent compound identification using spectral library matching.
Lord1EgyptCalculate spectral similarity between query spectra and reference libraries.
tassiovaleCompare mass spectra and identify compounds using spectral libraries.
robinbarvaagProcess mass spectrometry spectra and calculate similarity scores with matchms.
galeepCompare mass spectra and identify unknown compounds from spectral libraries.
