Boltz-1 Democratizing Biomolecular Interaction Modeling

Understanding biomolecular interactions is fundamental to advancing fields like drug discovery and protein design. In this paper, we introduce Boltz-1, an open-source deep learning model incorporating innovations in model architecture, speed optimization, and data processing achieving Alphafold3-level accuracy in predicting the 3D structures of biomolecular complexes. Boltz-1 demonstrates a performance on-par with state-of-the-art commercial models on a range of diverse benchmarks, setting a new benchmark for commercially accessible tools in structural biology. Further, we push the boundary of capabilities of these models with Boltz-steering, a new inference time steering technique that is able to fix…

• NS
  National Science Foundation

  Award: 1918839
• UD
  U.S. Department of Energy
• NE
  National Energy Research Scientific Computing Center
• OO
  Office of Science