Molecular Property Prediction On Qm7
評価指標
MAE
評価結果
このベンチマークにおける各モデルのパフォーマンス結果
比較表
| モデル名 | MAE |
|---|---|
| chemrl-gem-geometry-enhanced-molecular | 58.9 |
| pre-training-graph-neural-networks | 113.2 |
| n-gram-graph-a-novel-molecule-representation | 92.8 |
| grover-self-supervised-message-passing | 92.0 |
| grover-self-supervised-message-passing | 94.5 |
| are-learned-molecular-representations-ready | 103.5 |
| uni-mol-a-universal-3d-molecular | 41.8 |
| n-gram-graph-a-novel-molecule-representation | 81.9 |