We utilize the datasets provided by Mobley et al., Wang et al. , and Schindler et al. in order to evaluate the generalization performance of our model. Mobley et al. provide a series of benchmarks datasets for binding free energy prediction. One of their benchmark sets has experimentally determined ∆G values for a congeneric series of 8 ligands binding to the first bromodomain of the BRD4 protein. Wang