2023
3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction
ICLR 2023poster
Rich data and powerful machine learning models allow us to design drugs for a specific protein target <em>in silico</em>. Recently, the inclusion of 3D structures during targeted drug design shows superior performance to other target-free models as the atomic interaction in the 3D space is explicitl…