Srivastava P., Steuer A., Nicoli A., Schulz K., Bej S., Di Pizio A. & Wolkenhauer O. Bitter Peptide Prediction Using Graph Neural, target journal: Journal of Cheminformatics, SUBMITTED

Installation

1. Create a python version 3.9.

conda create -n bittepep python=3.9
conda activate bitterpep

2. Install the python packages from requirements file.

pip install -r requirments.txt

Running the benchmark and analysis

1. Run the analysis

python scripts/Analysis.py

2. Run the KFold benchmark

python scripts/KFold.py