Molecular Property Prediction On Qm7
评估指标
MAE
评测结果
各个模型在此基准测试上的表现结果
模型名称 | MAE | Paper Title | Repository |
|---|---|---|---|
| ChemRL-GEM | 58.9 | ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction | - |
| PretrainGNN | 113.2 | Strategies for Pre-training Graph Neural Networks | - |
| N-GramRF | 92.8 | N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules | - |
| GROVER (large) | 92.0 | Self-Supervised Graph Transformer on Large-Scale Molecular Data | - |
| GROVER (base) | 94.5 | Self-Supervised Graph Transformer on Large-Scale Molecular Data | - |
| D-MPNN | 103.5 | Analyzing Learned Molecular Representations for Property Prediction | - |
| Uni-Mol | 41.8 | Uni-Mol: A Universal 3D Molecular Representation Learning Framework | |
| N-GramXGB | 81.9 | N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules | - |
0 of 8 row(s) selected.