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Ranking Protein Peptides binding affinity

This code focuses on ranking the binding affinity between a given protein of interest and a list of peptides.

Installation

The project requires the transformers library to calculate ESM2 embeddings. You will need to update the path to the ESM2 model weights in src/utils.py to match the location on your local system.

pip install transformers

Usage

5 detailed case studies were provided: 1_Example_HTRA1.ipynb; 2_Example_HTRA3.ipynb 3_Example_MDM2.ipynb; 4_Example_MDMX.ipynb; 5_Example_EPIX4.ipynb

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