SAnDReS (Statistical Analysis of Docking Results and Scoring functions) is a free and open-source computational environment for the development of machine-learning models for the prediction of ligand-binding affinity. We developed SAnDReS using Python programming language, and SciPy, NumPy, scikit-learn, and Matplotlib libraries as a computational

Computational tool to explore the scoring fucntion space

This is the official repo of paper: Multi-modal Protein-Drug Interaction Prediction Via Attention-based Network. Code and pretrained model weights are available here.