DimeNet

Reported on 4 benchmarks across 4 tasks · 2 papers · 3 SOTA

Note: results are matched by exact model name. Different papers may use the same name for different model variants.

Medical3 results

Protein-Ligand Affinity PredictiononPDBbind
RMSE· 2021-07-21
1.453
best: 1.211 (PLAPT)
SOTA
Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity arXiv:2107.10670
Drug DiscoveryonQM9
Error ratio· 2020-03-06
0.44
best: 0.363 (PAMNet)
SOTA
Directional Message Passing for Molecular Graphs arXiv:2003.03123
Atomistic DescriptiononQM9
MAE· 2020-03-06
0.185
best: 0.00467 (Uni-Mol)
Directional Message Passing for Molecular Graphs arXiv:2003.03123

Miscellaneous1 result

Formation EnergyonQM9
MAE· 2020-03-06
0.185
best: 0.09 (TensorNet)
SOTA
Directional Message Passing for Molecular Graphs arXiv:2003.03123