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Molecular Property Prediction On Qm7

评估指标

MAE

评测结果

各个模型在此基准测试上的表现结果

模型名称	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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