Metric: RMSE (lower is better)
| # | Model↕ | RMSE▲ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | SMA | 1.09 | No | Self-Guided Masked Autoencoders for Domain-Agnos... | 2024-02-22 | Code |
| 2 | ChemBFN | 1.418 | No | A Bayesian Flow Network Framework for Chemistry ... | 2024-07-28 | Code |
| 3 | Uni-Mol | 1.62 | No | - | - | Code |
| 4 | SPMM | 1.859 | No | Bidirectional Generation of Structure and Proper... | 2022-11-19 | Code |
| 5 | ChemRL-GEM | 1.877 | No | ChemRL-GEM: Geometry Enhanced Molecular Represen... | 2021-06-11 | - |
| 6 | D-MPNN | 2.082 | No | Analyzing Learned Molecular Representations for ... | 2019-04-02 | Code |
| 7 | GROVER (base) | 2.176 | No | Self-Supervised Graph Transformer on Large-Scale... | 2020-06-18 | Code |
| 8 | GROVER (large) | 2.272 | No | Self-Supervised Graph Transformer on Large-Scale... | 2020-06-18 | Code |
| 9 | N-GramRF | 2.688 | No | N-Gram Graph: Simple Unsupervised Representation... | 2018-06-24 | Code |
| 10 | PretrainGNN | 2.764 | No | Strategies for Pre-training Graph Neural Networks | 2019-05-29 | Code |
| 11 | N-GramXGB | 5.061 | No | N-Gram Graph: Simple Unsupervised Representation... | 2018-06-24 | Code |