Retraining the contrastive model required the construction of a decoy database of isomers, derived from Pub-Chem. During this step, we had to address several minor coding errors and manage the extensive computational resources required for processing the PubChem database. After fixing these issues, training durations were approximately 12 and 35 minutes, achieving contrastive losses of 1.9430 and 1.7349 on the test set without and with data augmentation, respectively.