A family of open-source deep learning models for accurate biomolecular interaction and binding affinity prediction, rivaling AlphaFold3 and physics-based methods.
Boltz is a family of open-source deep learning models for predicting biomolecular interactions, including 3D structures and binding affinities. It solves the problem of expensive and inaccessible computational biology tools by providing accurate, fast, and freely available models that rival proprietary solutions like AlphaFold3 and physics-based methods.
Computational biologists, drug discovery researchers, and bioinformaticians who need accurate and efficient in silico screening for early-stage drug discovery and biomolecular interaction analysis.
Developers choose Boltz because it offers state-of-the-art accuracy comparable to AlphaFold3 and physics-based FEP methods, but with 1000x faster inference speeds and full open-source availability under a permissive MIT license, enabling both academic and commercial applications without restrictions.
Official repository for the Boltz biomolecular interaction models
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Predicts both 3D structures and binding affinities like IC50 in a unified framework, enabling comprehensive analysis for drug discovery stages from hit-discovery to optimization.
Runs ~1000x faster than traditional FEP methods while maintaining competitive accuracy, making large-scale in silico screening practical for early-stage research.
Code and model weights are released under the permissive MIT license, allowing unrestricted academic and commercial use without proprietary restrictions.
Provides distinct predictions such as binder probability for hit-discovery and affinity values for ligand optimization, streamlining workflow integration.
Relies on an MSA server with authentication requirements, which can complicate setup for offline or secure environments and add external points of failure.
Training code for the latest Boltz-2 model is marked as 'coming soon' in the README, limiting users who need to customize or retrain the model immediately.
Optimal performance depends on CUDA-enabled GPUs; the CPU version is significantly slower, which may hinder accessibility for resource-constrained teams.
Boltz-1 is an open-source alternative to the following products: