Conformation Reconstruction on ADK Known poses
1.09RMSD (Å)GNN autodecoder
Evaluation results
| Method | Links | |
|---|---|---|
| GNN autodecoderR2-regularization=With R2, weights=~30k2026.02 | 1.09 | |
| MLPR2-regularization=With R2, weights=~30k2026.02 | 1.24 | |
| GNN autodecoderR2-regularization=Without R2, weights=~30k2026.02 | 1.44 | |
| MLPR2-regularization=Without R2, weights=~30k2026.02 | 2.3 |