pyopenms - Python Interface for Mass Spectrometry Data Analysis
PyOpenMS provides Python bindings to OpenMS for proteomics and metabolomics mass spectrometry data processing, feature detection, and identification.
Tags
Updated: 2026-09-16Capabilities
Typical Inputs
Typical Outputs
What this skill does
- Load mass spectrometry file formats
- Process raw spectral data
- Detect and link spectral features
- Filter identifications using false discovery rate
- Align retention times across samples
- Export feature maps to pandas DataFrames
Inputs
- Mass spectrometry data files
- Identification result files
- Algorithm configuration parameters
Outputs
- Processed spectral experiments
- Detected feature maps
- Filtered identification results
- Pandas DataFrames
Requirements
- Python environment
- pyopenms package