3D Geometry Prediction On Molecule3D Test
评估指标
MAE
RMSE
Validity
Validity3D
评测结果
各个模型在此基准测试上的表现结果
模型名称 | MAE | RMSE | Validity | Validity3D | Paper Title | Repository |
|---|---|---|---|---|---|---|
| DeeperGCN-DAGNN + Coordinates | 0.571 | 0.961 | 100 | 100 | Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs | |
| DeeperGCN-DAGNN + Distance | 0.483 | 0.753 | 1.69 | 0.03 | Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs |
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