We also trained a deep convolutional neural network (Colorful CNN), an approach that has been successfully used in protein-ligand binding a nity prediction. The input molecule is represented as a voxelized grid of atomic densities as generated by the libmolgrid library. Our network has six modules separated by pooling operations each with seven convolutional layers and was trained on the ANI-1x data set. The trained Colorful CNN model can be found at .