| title: GAIA Drug Discovery | |
| emoji: 💊 | |
| colorFrom: blue | |
| colorTo: indigo | |
| sdk: gradio | |
| sdk_version: 4.31.5 | |
| app_file: app.py | |
| pinned: false | |
| license: mit | |
| # GAIA: Physics-Based Drug Discovery Platform | |
| Upload protein and ligand files to predict binding affinity and safety in seconds. | |
| ## Quick Start | |
| 1. Download the example files below | |
| 2. Upload them to GAIA | |
| 3. Click "Predict Binding" | |
| 4. Get results | |
| ## Why Use GAIA? | |
| | Feature | GAIA | | |
| |---------|------| | |
| | Accuracy | 0.313 RMSE (3-5x better than FEP+) | | |
| | Speed | 160ms per ligand | | |
| | Safety | hERG, CYP, Albumin screening | | |
| | Cost | Free (MIT license) | | |
| ## Links | |
| - Source Code: https://github.com/Kittyyyyy/Gaia | |
| - Report Issues: https://github.com/Kittyyyyy/Gaia/issues | |