| Paper | Code | MAE | ModelName | ReleaseDate |
|---|---|---|---|---|
| Uni-Mol: A Universal 3D Molecular Representation Learning Framework | ✓ Link | 0.0156 | Uni-Mol | 2022-09-08 |
| ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction | 0.0171 | ChemRL-GEM | 2021-06-11 | |
| Analyzing Learned Molecular Representations for Property Prediction | ✓ Link | 0.0190 | D-MPNN | 2019-04-02 |
| Strategies for Pre-training Graph Neural Networks | ✓ Link | 0.0200 | PretrainGNN | 2019-05-29 |
| N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules | ✓ Link | 0.0215 | N-GramXGB | 2018-06-24 |
| Self-Supervised Graph Transformer on Large-Scale Molecular Data | ✓ Link | 0.0218 | GROVER (base) | 2020-06-18 |
| Self-Supervised Graph Transformer on Large-Scale Molecular Data | ✓ Link | 0.0224 | GROVER (large) | 2020-06-18 |
| N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules | ✓ Link | 0.0236 | N-GramRF | 2018-06-24 |