HyperAI초신경

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

한국어

HyperAI초신경

Molecular Property Prediction On Qm7

평가 지표

MAE

평가 결과

이 벤치마크에서 각 모델의 성능 결과

모델 이름	MAE	Paper Title	Repository
ChemRL-GEM	58.9	ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction	-
PretrainGNN	113.2	Strategies for Pre-training Graph Neural Networks
N-GramRF	92.8	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
GROVER (large)	92.0	Self-Supervised Graph Transformer on Large-Scale Molecular Data
GROVER (base)	94.5	Self-Supervised Graph Transformer on Large-Scale Molecular Data
D-MPNN	103.5	Analyzing Learned Molecular Representations for Property Prediction
Uni-Mol	41.8	Uni-Mol: A Universal 3D Molecular Representation Learning Framework	-
N-GramXGB	81.9	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules

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