Figure 2.

Learning curve for training our transformers on (A) drugs, metabolites, fluorophores, and 2000 natural products, and (B) a full set of natural products. Because the transformer is effectively a one-shot learner, and the batch size varied, the abscissa is shown as a single epoch. The batch size was varied, as described in Section 4, and was (A) 50 (latent space of 64 dimensions) and (B) 20 (latent space of 256 dimensions), leading to an actual number of batches of (A) 92 and (B) 7500.