HyperAI超神経
ホームニュース最新論文チュートリアルデータセット百科事典SOTALLMモデルGPU ランキング学会
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Drug Discovery On Qm9

評価指標

Error ratio

評価結果

このベンチマークにおける各モデルのパフォーマンス結果

モデル名
Error ratio
Paper TitleRepository
PaiNN0.411Equivariant message passing for the prediction of tensorial properties and molecular spectra
Gated Graph Sequence NN1.36Gated Graph Sequence Neural Networks
DimeNet++0.410Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules
ComENet0.403ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs
PAMNet0.363A Universal Framework for Accurate and Efficient Geometric Deep Learning of Molecular Systems
MPNNs0.68Neural Message Passing for Quantum Chemistry
Molecular Graph Convolutions2.59Molecular Graph Convolutions: Moving Beyond Fingerprints
SphereNet0.386Spherical Message Passing for 3D Graph Networks
DeepMoleNet0.531Transferable Multi-level Attention Neural Network for Accurate Prediction of Quantum Chemistry Properties via Multi-task Learning-
MXMNet0.382Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures
DimeNet0.44Directional Message Passing for Molecular Graphs
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