Initial Structure To Relaxed Energy Is2Re On
評価指標
Energy 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
モデル名 | Energy MAE | Paper Title | Repository |
|---|---|---|---|
| GemNet-OC | 0.348 | GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets | - |
| Noisy Nodes | 0.47225 | Simple GNN Regularisation for 3D Molecular Property Prediction & Beyond | |
| SpinConv | 0.436675 | Rotation Invariant Graph Neural Networks using Spin Convolutions | |
| GemNet-XL | 0.3712 | Towards Training Billion Parameter Graph Neural Networks for Atomic Simulations |
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