Process mass spectrometry data from MGF, MSP, mzML, and JSON formats.
npx skills add https://github.com/hxk622/TokenDance --skill matchms-hxk622
Please help me install this Agent Skill. Skill: matchms Source: https://github.com/hxk622/TokenDance/tree/main/backend/app/skills/builtin/scientific/chemistry/matchms Command: npx skills add https://github.com/hxk622/TokenDance --skill matchms-hxk622
This Skill simplifies and accelerates the analysis of mass spectrometry data, enabling faster compound identification and spectral comparison.
Use the matchms skill to compare the spectrum in 'unknown.mgf' against the library in 'library.msp'.
High-intent search queries and answers about installing and using this skill.
You can compare mass spectra by computing similarity scores using algorithms like CosineGreedy, ModifiedCosine, and FingerprintSimilarity. This calculates spectral similarity to help match and identify unknown compounds against reference libraries.
Supported mass spectrometry file formats for importing spectral data include MGF, MSP, mzML, and JSON. The Skill processes these formats by applying filters to standardize the data before calculating similarity scores and generating identification reports.
You can calculate spectral similarity scores using algorithms such as CosineGreedy, ModifiedCosine, and FingerprintSimilarity. These methods compute similarity between mass spectra to facilitate compound matching and identification.
Yes, you can build reproducible processing pipelines for mass spectrometry data. The Skill supports importing data from multiple file formats, applying filters for standardization, calculating similarity scores, and generating detailed identification reports for your metabolomics analysis.
Yes, this tool supports metabolomics data standardization by applying filters to imported mass spectrometry data. It processes data from MGF, MSP, mzML, and JSON formats to ensure consistent standardization before spectral matching and compound identification.
jasrajtulsiProcess mass spectrometry spectra for similarity scoring and compound identification.
RamanEbrahimiCompare mass spectra and identify compounds from spectral libraries.
Lord1EgyptCalculate molecular descriptors and perform fingerprint-based similarity screening with RDKit.
tassiovaleCompare mass spectra and identify compounds using spectral libraries.
