Systems, methods, and apparatuses to predict pairs of enzyme primary sequences and substrates and an interaction probability for each predicted pair

Techniques for predicting a pair of an enzyme primary sequence and a substrate, and interaction probability for the pair are described. An exemplary method includes receiving a request to predict a pair of an enzyme primary sequence and a substrate, and interaction probability for the pair; combining an enzyme vector, a substrate vector, and an interaction indication for the enzyme and substrate to form a machine learning model input; applying a machine learning model to the machine learning model input to predict the pair of an enzyme primary sequence and a substrate, and interaction probability for the pair; and outputting a result of the application of the machine learning model including the predicted pair of an enzyme primary sequence and a substrate, and interaction probability for the pair.