| title | StereoAwareGNN BBB Predictor |
|---|---|
| emoji | 🧠 |
| colorFrom | green |
| colorTo | blue |
| sdk | docker |
| app_file | app.py |
| pinned | false |
State-of-the-Art GNN model achieving AUC 0.9612 on external validation (B3DB dataset).
Nabil Yasini-Ardekani
- Stereo-aware molecular graph neural network
- Real-time BBB permeability prediction
- Molecular visualization
- Export results as JSON/CSV