HyperAI초신경

홈 뉴스 연구 논문 튜토리얼 데이터셋 백과사전 SOTA LLM 모델 GPU 랭킹 컨퍼런스

한국어

HyperAI초신경

Drug Discovery On Qm9

평가 지표

Error ratio

평가 결과

이 벤치마크에서 각 모델의 성능 결과

모델 이름	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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