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SOTA
分子性质预测
Molecular Property Prediction On Qm8
Molecular Property Prediction On Qm8
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
Columns
模型名称
MAE
Paper Title
N-GramRF
0.0236
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
GROVER (large)
0.0224
Self-Supervised Graph Transformer on Large-Scale Molecular Data
GROVER (base)
0.0218
Self-Supervised Graph Transformer on Large-Scale Molecular Data
N-GramXGB
0.0215
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
PretrainGNN
0.0200
Strategies for Pre-training Graph Neural Networks
D-MPNN
0.0190
Analyzing Learned Molecular Representations for Property Prediction
ChemRL-GEM
0.0171
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
Uni-Mol
0.0156
Uni-Mol: A Universal 3D Molecular Representation Learning Framework
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Molecular Property Prediction On Qm8 | SOTA | HyperAI超神经