lib-matchms
OfficialSpectral similarity and compound identification.
Education & Research#metabolomics#mass spectrometry#data processing#matchms#compound identification#spectral similarity
Authorbiomaps-infra
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill streamlines the process of comparing mass spectra and identifying unknown compounds by leveraging spectral libraries, saving researchers significant time in metabolomics and drug discovery.
Core Features & Use Cases
- Spectral Comparison: Compute similarity scores between mass spectra using various algorithms (e.g., cosine, modified cosine).
- Compound Identification: Match unknown spectra against curated spectral libraries to identify potential compounds.
- Data Preprocessing: Standardize and clean mass spectrometry data using a comprehensive suite of filtering functions.
- Use Case: A researcher has an unknown mass spectrum from an LC-MS/MS experiment and wants to identify the corresponding metabolite. They can use this Skill to compare their spectrum against a public spectral library (like GNPS) and receive a ranked list of potential matches with similarity scores.
Quick Start
Use the lib-matchms skill to compare the spectrum in 'unknown.mgf' against the library in 'library.mgf' and list the top 5 matches.
Dependency Matrix
Required Modules
None requiredComponents
references
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: lib-matchms Download link: https://github.com/biomaps-infra/blender-opencode/archive/main.zip#lib-matchms Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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