HyperAI초신경

홈 뉴스 최신 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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