TopPeaks

In silico spectral library generation for data independent acquisition mass spectrum

Installation & Run

1. Download and install original prosit source code from PROSIT
   
2. Override our prosit source code to the original prosit source code
   
3. Set MODEL_SPECTRA and MODEL_IRT paths in prosit/run_prosit_top_model.sh
   
4. Run run_prosit_top_model.sh
   

Train top models

1. Download original prosit training datasets (you can get hint from PROSIT
   
2. Once you copmlete your donwload, make a copy of the datasets because the next step will override top N training dataset in the original dataset
   
3. Modify parameter "N" and set the original training dataset path in lib/HDF_data_generation.py