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Models/MPNN

MPNN

Reported on 7 benchmarks across 5 tasks · 2 papers · 6 SOTA

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

Graphs3 results

Graph RegressiononZINC 100k
MAE· 2017-04-04
0.288
best: 0.094 (CIN-small)
SOTA
Neural Message Passing for Quantum Chemistry arXiv:1704.01212
Node ClassificationonCiteSeer with Public Split: fixed 20 nodes per class
Accuracy· 2017-04-04
64
best: 77.5 (OGC)
SOTA
Neural Message Passing for Quantum Chemistry arXiv:1704.01212
Graph RegressiononLipophilicity
RMSE· 2017-04-04
0.719
best: 0.58 (ProtoS-L2)
Neural Message Passing for Quantum Chemistry arXiv:1704.01212

Medical2 results

Atomistic DescriptiononQM9
MAE· 2017-04-04
0.49
best: 0.00467 (Uni-Mol)
SOTA
Neural Message Passing for Quantum Chemistry arXiv:1704.01212
Atomistic DescriptiononESOL
RMSE· 2017-03-02
0.58
SOTA
MoleculeNet: A Benchmark for Molecular Machine Learning arXiv:1703.00564

Miscellaneous1 result

Formation EnergyonQM9
MAE· 2017-04-04
0.49
best: 0.09 (TensorNet)
SOTA
Neural Message Passing for Quantum Chemistry arXiv:1704.01212

Methodology1 result

Molecular Property PredictiononESOL
RMSE· 2017-03-02
0.58
SOTA
MoleculeNet: A Benchmark for Molecular Machine Learning arXiv:1703.00564