ClustEval

MS2AI

From Mass Spectrometry to Artificial Intelligence

MS2AI is the official pipeline to get Mass spectrometry data into machine learning applications. The Pipeline does everything from data acquisition, data extraction and machine learning applications, making it the one-stop software for MS and AI implementations.

MS2AI fully automates the retrieval and processing of MS projects deposited on Pride or in your local research environment. The projects are retrieved, filtered and stored in a machine learning suitable format. We additionally provide sample deep neural networks, which can be trained on the generated data extracts.

For documentation and source code, visit the git repository here

Publications

(Rehfeldt et al., 2022) (Rehfeldt et al., 2021)
  1. Tobias Greisager Rehfeldt, Konrad Krawczyk, Mathias Bøgebjerg, Veit Schwämmle and Richard Röttger. MS2AI: Automated repurposing of public peptide LC-MS data for machine learning applications. Bioinformatics 38(3): 875–877 (2022). Link.
  2. Tobias Greisager Rehfeldt, Konrad Krawczyk, Mathias Bøgebjerg, Veit Schwämmle and Richard Röttger. MS2AI: Automated repurposing of public peptide LC-MS data for machine learning applications. bioRxiv (2021). Link. This paper has now beed published with Bioinformatics.