Overview
SpectriPy connects the R Spectra ecosystem to Python MS libraries through reticulate. It translates spectral objects and exposes Python similarity, filtering and normalization functions inside R workflows.
What can this tool do?
Common uses
- Exchange spectral data between R Spectra objects and Python-based analysis code.
Scientific fit
Primary function
Data conversion and import
Other functions
Spectral processing and comparison, Workflow management and reproducibility
Data compatibility
Inputs
Mass spectra
Outputs
Mass spectra
Input formats
R Spectra, Python matchms Spectrum and spectrum_utils objects
Output formats
Converted spectral objects and similarity/filter results returned to R
Scope and considerations
Designed for
- An R package that connects the RforMassSpectrometry Spectra ecosystem with Python, enabling exchange and joint analysis of mass-spectrometry data across R and Python workflows.
Not designed for
- A standalone raw-data preprocessing engine or a guarantee that different similarity implementations produce interchangeable scores.
Important requirements
- R/Bioconductor Spectra, reticulate and a compatible Python environment with matchms, spectrum_utils and NumPy. Follow the documented automatic or manual environment setup route.
Considerations
- Python environment selection and library versions matter. Data conversion and score parameters should be recorded when mixing language ecosystems.
Access and documentation
Artistic-2.0 R package; Python dependencies have their own licenses and version constraints. SpectriPy wraps their functionality rather than replacing the underlying methods.
License: Artistic-2.0
Evidence and review
Enveda intake rechecked against official README/documentation, repository access terms and primary publication metadata on 2026-10-27. Editorial source review only; no software execution or independent benchmarking. See docs/enveda-expansion-review-2026-10-27.md.
Core publications
Resource papers, direct updates and tool-specific methods. Selection policy.
- SpectriPy: Enhancing Cross-Language Mass Spectrometry Data Analysis with R and Python. Journal of Open Source Software (2025). doi:10.21105/joss.08070
Related tools
Entry history
Changes to this catalogue entry, not the tool's software release history. Acceptance and editorial review are separate.
- 2026-10-27 · First committed entry
Add 27 source-reviewed tools from Enveda intake
View change · Entry at this revision