Isomorphic Labs unveils IsoDDE, claiming 2x improvement over AlphaFold 3 at predicting drug binding

Isomorphic Labs/IsoDDE (Isomorphic Drug Design Engine)

Isomorphic Labs announced IsoDDE, an AI system that predicts how drug molecules bind to proteins with twice the accuracy of AlphaFold 3 on the hardest test cases. The system is trained on measured binding affinity data and is being used to design novel oncology candidates.