MS²PIP is a tool to predict MS² signal peak intensities from peptide sequences. It employs the XGBoost machine learning algorithm and is written in Python.
You can install MS²PIP on your machine by following our extended install instructions found on the MS²PIP GitHub repository. For a more user friendly experience, we created a web server. There, you can easily upload a list of peptide sequences, after which the corresponding predicted MS² spectra can be downloaded in a CSV or MGF file format. The web server can also be contacted through the REST API.
If you use MS²PIP for your research, please cite the following papers:
- Degroeve, S., Maddelein, D., & Martens, L. (2015). MS²PIP prediction server: compute and visualize MS² peak intensity predictions for CID and HCD fragmentation. Nucleic Acids Research, 43(W1), W326–W330. https://doi.org/10.1093/nar/gkv542
- Degroeve, S., & Martens, L. (2013). MS²PIP: a tool for MS/MS peak intensity prediction. Bioinformatics (Oxford, England), 29(24), 3199–203. https://doi.org/10.1093/bioinformatics/btt544