OpenMS, an open-source C++ library for the analysis of mass spectrometric data exposes a large part of its functionality to the Python community via the automatically generated pyOpenMS package. In order to make the OpenMS algorithms available to the python community, we can use the reticulate package which is an R interface to python, to call the pyopenms methods. This project involves expanding this initial prototype to create a fully capable R package that internally calls pyopenms methods using reticulate to analyze mass spectrometric data. The package would come along with tests, additional documentation, example visualizations, and a tutorial to guide beginners.


Shekhar Shukla


  • oliveralka
  • Hannes Rost
  • Timo Sachsenberg