Drug Discovery on QM9
Metric: Error ratio (lower is better)
Metric: Error ratio (lower is better)
| # | Model↕ | Error ratio▲ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | PAMNet | 0.363 | No | A Universal Framework for Accurate and Efficient... | 2023-11-19 | Code |
| 2 | MXMNet | 0.382 | No | Molecular Mechanics-Driven Graph Neural Network ... | 2020-11-15 | Code |
| 3 | SphereNet | 0.386 | No | Spherical Message Passing for 3D Graph Networks | 2021-02-09 | Code |
| 4 | ComENet | 0.403 | No | ComENet: Towards Complete and Efficient Message ... | 2022-06-17 | Code |
| 5 | DimeNet++ | 0.41 | No | Fast and Uncertainty-Aware Directional Message P... | 2020-11-28 | Code |
| 6 | PaiNN | 0.411 | No | Equivariant message passing for the prediction o... | 2021-02-05 | Code |
| 7 | DimeNet | 0.44 | No | Directional Message Passing for Molecular Graphs | 2020-03-06 | Code |
| 8 | DeepMoleNet | 0.531 | No | - | - | - |
| 9 | MPNNs | 0.68 | No | Neural Message Passing for Quantum Chemistry | 2017-04-04 | Code |
| 10 | Gated Graph Sequence NN | 1.36 | No | Gated Graph Sequence Neural Networks | 2015-11-17 | Code |
| 11 | Molecular Graph Convolutions | 2.59 | No | Molecular Graph Convolutions: Moving Beyond Fing... | 2016-03-02 | Code |