Learning Binding Affinities via Fine-Tuning of Protein and Ligand Language Models

, it outperforms traditional machine learning and docking methods, including AutoDock Vina. Adoption of our target-based evaluation methods will allow a more stringent evaluation of machine learning-based scoring tools. Our binding affinity prediction framework shows good performance, is computationally efficient, and is highly adaptable within this evaluation setting, making it practical for early-stage drug discovery screening.