In December 2022, Isomorphic Labs announced its second office location in
Lausanne, Switzerland. In January 2024, Isomorphic Labs partnered with
Novartis AG and
Eli Lilly and Company to work together on AI drug discovery and research. In May 2024,
Google DeepMind and Isomorphic Labs announced the release of
AlphaFold 3, an artificial intelligence and foundation model platform. Available for free on the AlphaFold server for non-commercial research, the platform was developed by training it with nearly 100,000 known proteins. AlphaFold 3 can predict how proteins fold and the interactions with molecules typically found in drugs such as
ligands or
antibodies, which is expected to significantly accelerate drug discovery. In November 2024, preliminary results of
CASP16 showed AlphaFold 3-based models did not significantly outperform older methods for predicting protein-ligand interactions. The top performing models in the CASP16 Pose Prediction for Pharma Targets section were ClusPro and CoDock utilizing AlphaFold 2 based predictions, human visual inspection, and manual adjustments. In April 2025 Isomorphic Labs raised $600 Million in its first ever external funding round, led by
Thrive Capital. In February 2026, the company announced its Drug Design Engine, which doubled the performance of AlphaFold 3 on a protein-ligand structure prediction generalization benchmark, predicts small molecule binding-affinities with higher accuracy than physics-based methods at a small fraction of the time and cost, and identified new binding pockets on target proteins using only the
amino acid sequence. ==References==