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Add AlphaFold 3 quickstart notebook (#4572)
* Add AlphaFold 3 quickstart notebook * Update CODEOWNERS --------- Co-authored-by: Amit Rai <raiamit@google.com>
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# AlphaFold 3
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[**Overview**](#overview) | [**Use cases**](#use-cases) | [**Documentation**](#documentation) | [**Prerequisites**](#prerequisites) | [**Quick start**](#quick-start)
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## Overview
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AlphaFold 3 is a revolutionary model developed by Google DeepMind and Isomorphic Labs that predicts the 3D structures and interactions of proteins, DNA, RNA, ligands, and chemical modifications.
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By modeling these molecules and their interactions together in a unified diffusion-based architecture, AlphaFold 3 provides a comprehensive view of cellular machinery, enabling researchers to understand biological processes at atomic resolution.
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AlphaFold 3 is available for commercial use on [Gemini Enterprise Agent Platform](https://docs.cloud.google.com/gemini-enterprise-agent-platform/models/open-models/alphafold-3).
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## Use cases
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* **Protein-Ligand Interaction Prediction**: Model the binding of small molecule ligands to proteins, enabling drug discovery and development.
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* **Nucleic Acid Interaction Prediction**: Predict the complex structures of proteins interacting with DNA and RNA sequences.
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* **Chemical Modifications**: Predict structures containing modified residues, ions, and covalent linkages.
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* **Antibody-Antigen Modeling**: Map the 3D structures of antibody-antigen complexes to support therapeutic antibody design.
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## Documentation
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The examples provided here demonstrate how to deploy and use AlphaFold 3 on Gemini Enterprise Agent Platform.
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### Links
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* Read the [Nature journal paper](https://doi.org/10.1038/s41586-024-07487-w)
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* Read the [Google DeepMind blog post](https://blog.google/technology/ai/google-deepmind-isomorphic-alphafold-3-ai-model/)
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* Explore the [AlphaFold Server](https://alphafoldserver.com/welcome)
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* View the open-source code and non-commercial weights on [GitHub](https://github.com/google-deepmind/alphafold3)
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## Prerequisites
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To deploy and use AlphaFold 3 on Vertex AI:
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1. **Request Access**: Submit the [AlphaFold 3 Request Form](https://console.cloud.google.com/vertex-ai/publishers/google/model-garden/alphafold3-request) and work with your Google Cloud account team for commercial subscription allowlisting.
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2. **Hardware Quota**: Deployments require an `a3-highgpu-1g` machine type (1x NVIDIA H100 80GB GPU) with 750 GB Local SSD provisioned for database caching.
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3. **Endpoint Configuration**: Deploy the model to a Dedicated Endpoint and configure the inference timeout to 3,600 seconds.
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## Quick start
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| Notebook | Description | Links |
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| :--- | :--- | :--- |
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| [AlphaFold 3 Quickstart](cloudai_alphafold3_vai_quickstart.ipynb) | End-to-end protein-ligand docking prediction (KRAS G12C covalent complex with Sotorasib), output handling, and 3D visualization. | <a href="https://colab.research.google.com/github/GoogleCloudPlatform/vertex-ai-samples/blob/main/notebooks/community/alphafold3/cloudai_alphafold3_vai_quickstart.ipynb"><img src="https://www.gstatic.com/pantheon/images/bigquery/welcome_page/colab-logo.svg" alt="Open in Colab" height="20"></a> |
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