Boltz-1:
Democratizing Biomolecular Interaction Modeling

Boltz-1 is an open-source model which predicts the 3D structure of proteins, rna, dna and small molecules; it handles modified residues, covalent ligands and glycans, as well as condition the generation on pocket residues.

For more information about the model, see our technical report.

Installation

Install boltz with PyPI (recommended):

pip install boltz

or directly from GitHub for daily updates:

git clone https://github.com/jwohlwend/boltz.git
cd boltz; pip install -e .

Note: we recommend installing boltz in a fresh python environment

Inference

You can run inference using Boltz-1 with:

boltz predict input_path

Boltz currently accepts three input formats:

Fasta file, for most use cases
A comprehensive YAML schema, for more complex use cases
A directory containing files of the above formats, for batched processing

To see all available options: boltz predict --help and for more informaton on these input formats, see our prediction instructions.

Training

If you're interested in retraining the model, see our training instructions.

Contributing

We welcome external contributions and are eager to engage with the community. Connect with us on our Slack channel to discuss advancements, share insights, and foster collaboration around Boltz-1.

Coming very soon

Pocket conditioning support
More examples
Full data processing pipeline
Colab notebook for inference
Confidence model checkpoint
Support for custom paired MSA
Kernel integration

License

Our model and code are released under MIT License, and can be freely used for both academic and commercial purposes.

Boltz-1: Democratizing Biomolecular Interaction Modeling