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Drug Discovery On Qm9

Metrics

Error ratio

Results

Performance results of various models on this benchmark

Model Name	Error ratio	Paper Title	Repository
PaiNN	0.411	Equivariant message passing for the prediction of tensorial properties and molecular spectra	-
Gated Graph Sequence NN	1.36	Gated Graph Sequence Neural Networks	-
DimeNet++	0.410	Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules	-
ComENet	0.403	ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs	-
PAMNet	0.363	A Universal Framework for Accurate and Efficient Geometric Deep Learning of Molecular Systems
MPNNs	0.68	Neural Message Passing for Quantum Chemistry	-
Molecular Graph Convolutions	2.59	Molecular Graph Convolutions: Moving Beyond Fingerprints	-
SphereNet	0.386	Spherical Message Passing for 3D Graph Networks	-
DeepMoleNet	0.531	Transferable Multi-level Attention Neural Network for Accurate Prediction of Quantum Chemistry Properties via Multi-task Learning	-
MXMNet	0.382	Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures	-
DimeNet	0.44	Directional Message Passing for Molecular Graphs	-

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