pyopenms - Python Platform for Mass Spectrometry Data Processing
Provides Python bindings to OpenMS for proteomics and metabolomics data processing, feature detection, and identification.
Tags
Updated: 2026-09-16Capabilities
Typical Inputs
Typical Outputs
What this skill does
- Load mass spectrometry data files
- Filter and smooth spectral signals
- Detect and link spectral features
- Filter peptide identifications using FDR
- Export feature maps to DataFrames
Inputs
- Mass spectrometry files
- Identification result files
- Algorithm parameters
Outputs
- Processed spectral data
- Identified peptides and proteins
- Feature maps
- Pandas DataFrames
Requirements
- Python environment
- pyopenms package