Isomorphic Labs Unlocks New Drug Design Frontier Beyond AlphaFold 3

The Isomorphic Labs Drug Design Engine unlocks a new frontier beyond AlphaFold

We are thrilled to introduce IsoDDE, our new unified computational drug-design system that surpasses AlphaFold 3 in predictive accuracy. This engine doubles performance on challenging protein-ligand benchmarks, predicts binding affinities faster than physics-based methods, and identifies novel binding pockets using only amino acid sequences. IsoDDE bridges the gap between structure prediction and real-world drug discovery, enabling the rational design of medicines with unprecedented precision.

"IsoDDE can surpass the performance of physics-based methods such as FEP, despite the fact that these require grounding in experimental crystal structures and IsoDDE does not."