Drug Discovery On Qm9
评估指标
Error ratio
评测结果
各个模型在此基准测试上的表现结果
比较表格
| 模型名称 | Error ratio |
|---|---|
| equivariant-message-passing-for-the | 0.411 |
| gated-graph-sequence-neural-networks | 1.36 |
| fast-and-uncertainty-aware-directional | 0.410 |
| comenet-towards-complete-and-efficient | 0.403 |
| a-universal-framework-for-accurate-and-1 | 0.363 |
| neural-message-passing-for-quantum-chemistry | 0.68 |
| molecular-graph-convolutions-moving-beyond | 2.59 |
| spherical-message-passing-for-3d-graph | 0.386 |
| transferable-multi-level-attention-neural | 0.531 |
| molecular-mechanics-driven-graph-neural | 0.382 |
| directional-message-passing-for-molecular-1 | 0.44 |