Predicting protein structural stability using intermediate outputs of a protein structure prediction neural network

Abstract

Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for predicting structural stability of a protein specified by an amino acid sequence. In one aspect, a method comprises: processing an input comprising a representation of the amino acid sequence of the protein using a structure prediction neural network to generate an intermediate output of the structure prediction neural network, wherein the structure prediction neural network is configured to process a representation of an input amino acid sequence to generate an output characterizing a predicted structure of a protein specified by the input amino acid sequence; and processing the intermediate output of the structure prediction neural network using a stability prediction neural network to generate a predicted structural stability score characterizing the predicted structural stability of the protein specified by the amino acid sequence.