Metric: RMSE (lower is better)
| # | Model↕ | RMSE▲ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | ProtoS-L2 | 0.58 | Yes | Optimal Transport Graph Neural Networks | 2020-06-08 | Code |
| 2 | C-SGEN+ Fingerprint | 0.65 | No | - | - | Code |
| 3 | GC | 0.655 | No | Convolutional Networks on Graphs for Learning Mo... | 2015-09-30 | Code |
| 4 | Weave | 0.715 | No | Molecular Graph Convolutions: Moving Beyond Fing... | 2016-03-02 | Code |
| 5 | MPNN | 0.719 | No | Neural Message Passing for Quantum Chemistry | 2017-04-04 | Code |
| 6 | XGBoost | 0.799 | No | Molecular Property Prediction: A Multilevel Quan... | 2019-06-25 | Code |
| 7 | RF | 0.876 | No | Molecular Property Prediction: A Multilevel Quan... | 2019-06-25 | Code |
| 8 | ARMA | 0.894 | No | Graph Neural Networks with convolutional ARMA fi... | 2019-01-05 | Code |
| 9 | AGNN | 0.963 | No | Attention-based Graph Neural Network for Semi-su... | 2018-03-10 | Code |
| 10 | SGC | 0.998 | No | Simplifying Graph Convolutional Networks | 2019-02-19 | Code |