A newer version of the Gradio SDK is available: 6.21.0
metadata
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
- Download the example files below
- Upload them to GAIA
- Click "Predict Binding"
- 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