Structural biology, the study of proteins and other biomolecules through their 3D structures, is a field on the cusp of transformation. While measuring and interpreting biomolecular structures has traditionally been an expensive and difficult endeavor, recent machine-learning based modeling approaches have shown that it will become routine to predict and reason about structure at proteome scales with unprecedented atomic resolution. This broad liberation of 3D structure within bioscience and biomedicine will likely have transformative impacts on our ability to create effective medicines, to understand and engineer biology, and to design new molecular materials and machinery. Machine learning also shows great promise to continue to revolutionize many core technical problems in structural biology, including protein design, modeling protein dynamics, predicting higher order complexes, and integrating learning with experimental structure determination.

At this inflection point, we hope that the Machine Learning in Structural Biology (MLSB) workshop will help bring community and direction to this rising field. To achieve these goals, this workshop will bring together researchers from a unique and diverse set of domains, including core machine learning, computational biology, experimental structural biology, geometric deep learning, and natural language processing.