3D Geometry Prediction on Molecule3D test
MAE 낮을수록 좋음
- 2021-09-30 — DeeperGCN-DAGNN + Distance: MAE 0.483
| Rank | Model | MAE | RMSE | Validity | Validity3D | Paper | Code | Year |
|---|---|---|---|---|---|---|---|---|
| 1 | DeeperGCN-DAGNN + Distance | 0.483 | 0.753 | 1.69 | 0.03 | Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs | divelab/MoleculeX · chao1224/se3ddm · chao1224/geossl | 2021 |
| 2 | DeeperGCN-DAGNN + Coordinates | 0.571 | 0.961 | 100 | 100 | Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs | divelab/MoleculeX · chao1224/se3ddm · chao1224/geossl | 2021 |
| 3 | DeeperGCN-DAGNN + Distance | 0.483 | 0.753 | 1.69 | 0.03 | Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs | divelab/MoleculeX · chao1224/se3ddm · chao1224/geossl | 2021 |
| 4 | DeeperGCN-DAGNN + Coordinates | 0.571 | 0.961 | 100 | 100 | Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs | divelab/MoleculeX · chao1224/se3ddm · chao1224/geossl | 2021 |