Molecular Property Prediction On Qm9
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 | 0.00746 | ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction | - |
| Uni-Mol | 0.00467 | Uni-Mol: A Universal 3D Molecular Representation Learning Framework | |
| GROVER (base) | 0.00984 | Self-Supervised Graph Transformer on Large-Scale Molecular Data | - |
| D-MPNN | 0.00814 | Analyzing Learned Molecular Representations for Property Prediction | - |
| GROVER (large) | 0.00986 | Self-Supervised Graph Transformer on Large-Scale Molecular Data | - |
| N-GramRF | 0.01037 | N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules | - |
| PretrainGNN | 0.00922 | Strategies for Pre-training Graph Neural Networks | - |
| N-GramXGB | 0.00964 | N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules | - |
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