Figure shows distributions of QED, Synthetic accessibility (SA) score, Molecular Weight (MW), cLogP, hydrogen bond donors (HBD), and Number of rotatable bonds (ROTB) distributions for the PubChem training set, and 100,000 sampled compounds. The sampled compounds are generated with with beam size, B = 10 by feeding the transformer model (trained with ECFP4 with counts and λ = 10) with the 1,000 randomly chosen PubChem compunds. 88.62% of the valid and unique sampled compounds were not in the PubChem training set. We notice that all the distributions are extremely overlapped, meaning that the generated samples preserve the properties of the compounds in the training set.