Developments in machine learning for antibody design
Published:
Protein structure and sequence modeling has seen a fresh wave of resurgence in the last couple of years owing to some interesting developments in machine learning (ML) and deep learning (DL) based techniques. These techniques appear in a variety of flavours including using Equivariant neural network modules to respect the structural properties of 3D macromolecules, deeper networks that can benefit from the increased available experimental structures, powerful node-to-node relationship learners like transformers, and masked language modeling on the protein sequence space to learn evolutionary information. While structure prediction methods like AlphaFold (AF) [1] and RosettaFold (RF) [2] have become ubiquitious in computational structural biology, there remain challenges to be tackled on multiple fronts, where ML will play an important role.