The present application relates to the technical field of
peptide generation, and provides an
artificial intelligence reverse design method and
system for multifunctional
antifreeze peptide, comprising the following steps: obtaining the three-dimensional structure of a sequence of a natural multifunctional
antifreeze peptide collected in a public
database through a
protein / peptide three-dimensional structure prediction model; calculating the two-dimensional
infrared spectrum of the sequence; constructing a
training set for mapping text information to the two-dimensional
infrared spectrum and a
training set for mapping the two-dimensional
infrared spectrum to the main chain skeleton of the multifunctional
antifreeze peptide, completing model training, and obtaining a two-dimensional infrared spectrum generation model and
a peptide main chain skeleton generation model; in the reasoning stage, inputting functional text information, obtaining a predicted peptide main chain skeleton and performing refinement, calling a skeleton conditional
sequence design module to generate a corresponding
peptide sequence; and screening out
a peptide sequence meeting a comprehensive evaluation condition as a candidate
peptide sequence. Through the method, the efficiency and success rate of reverse design of multifunctional peptides starting from functional requirements are improved.