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1 | 1 | # Simple Ipynb Launcher |
| 2 | +The Simple Ipynb Launcher is a Jupyter Notebook-based interface designed to run folding jobs on the Alphafold 3 High Throughput solution. We are using Google's Vertex AI Workbench services to host the Jupyter notebook and configure it to interoperate with the Slurm cluster via the Slurm REST API. For convenience, we provide a Jupyter notebook that can run folding jobs and analyze and visualize the output. |
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3 | | -The Simple Ipynb Launcher is a Jupyter Notebook-based interface designed to streamline the process of running AlphaFold 3 jobs through a SLURM-based cluster using the SLURM REST API. |
| 4 | +## Setup Guide: Jupyter Notebook with SLURM |
| 5 | +Please note that the launcher needs 2 specific setup steps: |
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5 | | -It allows users to: |
| 7 | +- **[Setup AF3 with Simple Ipynb Launcher - PART 1: specific cluster settings](./Setup-pre-cluster-deployment.md)**: Instructions to be followed before bringing up the `af3-slurm.yaml` Slurm cluster. |
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7 | | -- Upload AlphaFold 3 input files (see [AlphaFold 3 Input Documentation](https://github.com/google-deepmind/alphafold3/blob/main/docs/input.md)), |
8 | | -- Launch data pipeline and/or inference jobs, and |
9 | | -- View and validate output files — all within a Jupyter Notebook environment. |
| 9 | +- **[Setup: Setup AF3 with Simple Ipynb Launcher - PART 2: IPython notebook setup](./Setup-post-cluster-deployment.md)**: Instructions for launching the notebook environment. |
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11 | | -## 📦 1. Setup Guide: Jupyter Notebook with SLURM |
12 | | - |
13 | | -This setup guide explains how to configure and launch the Simple IPython Launcher environment, which enables interactive AlphaFold 3 workflows via Jupyter Notebook and SLURM REST API. |
14 | | - |
15 | | -There are **two setup paths**, depending on whether your SLURM cluster has already been deployed: |
16 | | - |
17 | | -- **[Pre-Cluster Deployment](./Setup-pre-cluster-deployment.md)**: |
18 | | - Instructions for configuring and deploying the notebook environment before bringing up the `af3-slurm.yaml` SLURM cluster. Use this path if to starting from scratch or planning a clean deployment. |
19 | | - |
20 | | -- **[Post-Cluster Deployment](./Setup-post-cluster-deployment.md)**: |
21 | | - Instructions for launching the notebook environment after the `af3-slurm.yaml` SLURM cluster has already been deployed with SLURM REST support enabled. Use this path if the cluster is already running and was properly configured in advance. |
22 | | - |
23 | | -## ▶️ 2. [Usage Guide: Step-by-Step Instructions](./Ipynb.md) |
24 | | - |
25 | | -After the Ipynb Launcher has been successfully launched, refer to this usage guide to: |
26 | | - |
27 | | -- Follow a step-by-step walkthrough of each section |
28 | | -- Learn how to input data, run data pipeline and inference |
29 | | -- Visualizing the Results |
| 11 | +## Usage Guide |
| 12 | +For usage of the Ipynb Launcher consult the [Step-by-Step Instructions](./Ipynb.md) |
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