Molecular Networking with matchms
OfficialBuild MS/MS molecular networks with matchms.
Data & Analytics#bioinformatics#metabolomics#cheminformatics#mass-spectrometry#matchms#molecular-networking
AuthorHolobiomicsLab
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Molecular networking analysis of MS/MS data often requires coordinating multiple tools and pipelines; this skill provides a coherent guide using the matchms library to load spectra, compute similarities, and build networks in Python.
Core Features & Use Cases
- Load MS/MS data in formats supported by matchms (MGF, mzML, mzXML, MSP, JSON) and compute spectral similarities with cosine-based and Modified Cosine metrics to build molecular networks.
- Create networks that reveal molecular families, support dereplication, and facilitate annotation; suitable for metabolomics, cheminformatics, and natural product discovery.
- Integrate with GNPS and Cytoscape workflows for visualization and downstream analysis.
Quick Start
Install and run a basic molecular networking workflow using matchms to process a small MS/MS dataset.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 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: Molecular Networking with matchms Download link: https://github.com/HolobiomicsLab/Toolomics/archive/main.zip#molecular-networking-with-matchms Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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