Compare mass spectra and identify compounds using spectral libraries.
npx skills add https://github.com/tassiovale/claude-code-kit --skill matchms-tassiovale
Please help me install this Agent Skill. Skill: matchms Source: https://github.com/tassiovale/claude-code-kit/tree/main/skills/matchms Command: npx skills add https://github.com/tassiovale/claude-code-kit --skill matchms-tassiovale
This Skill streamlines metabolomics analysis by enabling spectral similarity and compound identification, significantly reducing the time required for metabolite identification and spectral matching.
Use the matchms skill to calculate the cosine similarity between two spectra and identify the best match from a library.
High-intent search queries and answers about installing and using this skill.
You can identify unknown compounds by comparing mass spectra against spectral libraries to compute similarity scores. This Skill calculates cosine and modified cosine scores to find the best library matches for metabolite identification.
Spectral similarity is calculated by comparing mass spectra and computing similarity scores. The Skill supports cosine and modified cosine scoring, allowing you to filter peaks and standardize metadata for reproducible library searching.
No, matchms is designed specifically for metabolomics tasks like spectral matching and compound identification. For full LC-MS/MS proteomics pipelines, you should use pyopenms instead.
You can import spectra from various formats for mass spectrometry spectral matching. The Skill standardizes metadata and filters peaks to build reproducible analytical workflows for metabolite identification.
The best way to standardize metadata for mass spectrometry library searching is to import spectra from various formats and apply peak filtering. This ensures reproducible analytical workflows when computing spectral similarities.
silversteinStandardize mass spectrometry spectra and compute similarity scores for compound identification.
dailycafiMap metabolites to KEGG, Reactome, and SMPDB pathways with enrichment and topology analysis.
MicrockQuery HMDB to identify metabolites via text, structure, and spectral matching.
robinbarvaagProvide Python bindings for OpenMS mass spectrometry data analysis.
