Isomorphic Labs unveiled the Isomorphic Labs Drug Design Engine (IsoDDE), describing it as a unified computational system that extends beyond structure-only modeling approaches. The company says IsoDDE more than doubles AlphaFold 3 accuracy on a protein–ligand structure prediction benchmark and predicts binding affinities with performance that exceeds physics-based methods at lower time and cost. The system is presented as a scalable foundation for AI-driven drug design, including capabilities such as identifying novel binding pockets from amino-acid sequence inputs. IsoDDE is positioned as bridging the gap between biomolecular structure prediction and practical small-molecule discovery tasks. The release comes amid rapid competition in AI-assisted chemistry, with Isomorphic Labs framing IsoDDE as a next step after partnering on AlphaFold 3 in 2024.