Interactome Signatures

Interactome signature modeling for the Ligand Discovery project. This repository contains two Jupyter Notebooks used to generate interactome signatures from fully-functionalized fragment screening data and validate accuracy of associated predictive models.

Usage

• Download and unzip the data directory in the current folder
• Open the notebooks/InteractomeSignatures.ipynb notebook and install the necessary dependencies, as specified in the first executable cell.
• If you want to validate the predictive models, execute notebooks/Validations.ipynb.
• A results folder will be generated. If you want to avoid the previous steps, you directly can download precalculated results.