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+ <h1 align="center">Boltz-1:
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+ Democratizing Biomolecular Interaction Modeling
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+ </h1>
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+ 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.
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+ For more information about the model, see our [technical report](https://gcorso.github.io/assets/boltz1.pdf).
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+ ## Installation
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+ Install boltz with PyPI (recommended):
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+ ```
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+ pip install boltz
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+ ```
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+ or directly from GitHub for daily updates:
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+ ```
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+ git clone https://github.com/jwohlwend/boltz.git
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+ cd boltz; pip install -e .
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+ ```
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+ > Note: we recommend installing boltz in a fresh python environment
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+
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+ ## Inference
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+ You can run inference using Boltz-1 with:
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+ ```
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+ boltz predict input_path
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+ ```
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+ Boltz currently accepts three input formats:
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+ 1. Fasta file, for most use cases
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+ 2. A comprehensive YAML schema, for more complex use cases
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+ 3. A directory containing files of the above formats, for batched processing
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+ To see all available options: `boltz predict --help` and for more informaton on these input formats, see our [prediction instructions](docs/prediction.md).
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+ ## Training
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+ If you're interested in retraining the model, see our [training instructions](docs/training.md).
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+ ## Contributing
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+ We welcome external contributions and are eager to engage with the community. Connect with us on our [Slack channel](https://boltz-community.slack.com/archives/C0818M6DWH2) to discuss advancements, share insights, and foster collaboration around Boltz-1.
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+ ## Coming very soon
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+ - [ ] Pocket conditioning support
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+ - [ ] More examples
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+ - [ ] Full data processing pipeline
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+ - [ ] Colab notebook for inference
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+ - [ ] Confidence model checkpoint
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+ - [ ] Support for custom paired MSA
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+ - [ ] Kernel integration
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+ ## License
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+ Our model and code are released under MIT License, and can be freely used for both academic and commercial purposes.