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OpenBio provides AI models for protein structure prediction, protein design, and molecular modeling.

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Structure Prediction

Boltz-2: Highest accuracy protein-ligand co-folding
  • Predict protein structures with ligands
  • Co-fold multiple chains with ligands
Chai-1: Multi-modal structure prediction
  • Handles proteins, DNA, RNA, ligands, glycans
  • Complex assemblies and multi-component systems
SimpleFold: Fast protein structure prediction
  • Quick structure estimates for screening

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Protein Design

ProteinMPNN: Design protein sequences from structures
  • Redesign existing structures
  • Create stabilized variants
LigandMPNN: Design sequences considering ligands
  • Optimize protein-ligand interactions
  • Design enzyme variants
ThermoMPNN: Design thermostable variants
  • Improve protein stability
  • Optimize for high temperatures
Pinal: Text-to-protein design
  • Create proteins from natural language descriptions
  • Modify structures with text instructions

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Docking

GeoDock: Protein-protein docking
  • Predict protein-protein binding poses

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Quick Examples

  • “Predict the structure of this protein using Boltz-2”
  • “Design sequences for this structure using ProteinMPNN”
  • “Dock this compound to EGFR structure using GeoDock”
  • “Create a thermostable variant with ThermoMPNN”
We’re constantly adding new tools and improving existing ones. If you don’t see a tool you need, please let us know through our Discord or write to us.