Boltz-2, from Boltz PBC, is the first fully open-source structure prediction model to combine 3D complex prediction with binding affinity estimation — moving beyond static structures toward a more complete picture of molecular interactions. It supports user-defined distance constraints, multi-chain template integration, and conditioning on experimental methods, giving computational scientists more control over how predictions are generated.

Key capabilities:

• Protein, ligand, and multi-component complex structure prediction

• Binding affinity prediction — not just structure, but strength of interaction

• User-defined distance constraints and multi-chain template support

• Fully open-source and commercially available