All training datasets were saved as TFRecord files to enable the training on TPU cloud instances using Tensorflow. Due to the large number of data points used in our training datasets (>400,000,000), the training dataset generation is a time-consuming process. Consequently, the SMILES datasets were divided into 100 chunks of equal length and used as input for the RanDepict toolkit which was instantiated with different seeds to produce different sets of depiction features in each instance.