🔬 AFusion: AlphaFold 3 GUI & Toolkit

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Introduction

AFusion is a user-friendly graphical interface designed to simplify AlphaFold 3 usage, making advanced protein structure modeling accessible to everyone. Whether you prefer a GUI over command-line interactions or need an API for batch predictions, AFusion has you covered.

Demo Site (generates input JSON files ONLY)

Usable visualization site (fully usable)

Features

  • 🧭 Guided Installation: GUI-based installer to simplify the installation process, easily set up the application through step-by-step guidance.

  • ✨ Intuitive Interface: Easily configure job settings, sequences, and execution parameters through a clean and modern GUI.

  • 📋 Entity Management: Add multiple entities (Protein, RNA, DNA, Ligand) with support for modifications, MSA options, and templates.

  • ⚙️ Dynamic JSON Generation: Automatically generates the required JSON input file for AlphaFold 3 based on user inputs.

  • 🚀 Integrated Execution: Run AlphaFold 3 directly from the GUI with customizable Docker execution settings.

  • 🖥️ Visual Feedback: Provides command output within the interface for monitoring and debugging.

  • 🖥️ Console Output: Track processes and debug more effectively with backend console output.

  • 🧩 API for Batch Predictions: Perform batch predictions using the AFusion API in Python scripts.

🌟 New Feature!

  • AlphaFold 3 Output Analysis System: Automatically analyze and visualize results with customizable visualizations and generate detailed PDF reports for streamlined insights.

Acknowledgements

  • AlphaFold 3: This GUI is designed to work with AlphaFold 3 by DeepMind.

  • Streamlit: AFusion is built using Streamlit, an open-source app framework for machine learning and data science teams.

  • Contributors: Waiting for more!

Contents

If you encounter any issues or have suggestions for improvements, please open an issue or submit a pull request.

Happy Folding! 🧬