The invention discloses a biomolecular interaction prediction method based on multi-
modal attention fusion, and belongs to the technical field of
artificial intelligence drug discovery. The method comprises the following steps: acquiring multi-
modal characteristics of drugs, targets, diseases and genes:
sequence structure characteristics, 3D structure characteristics, similarity network characteristics and biological relation
network embedding characteristics; constructing a
feature fusion prediction model, and performing training; inputting the multi-
modal features of the two biological entities into the trained
feature fusion prediction model, and outputting the probability of interaction of the two biological entities; the
feature fusion prediction model comprises a Transform
encoder and an MLP (Markup Language Protocol) network; the multi-modal features are input into a feature fusion prediction model for stacking and then are input into a Transform
encoder, the features are processed by using a multi-head self-attention mechanism, and an output result is flattened and subjected to dimension reduction
processing to obtain embedded vector representation; and finally, performing element corresponding multiplication on the embedded vectors of the two biological entities, inputting the embedded vectors into an MLP network, and outputting an interaction probability between the two biological entities.