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Molecular Property Prediction On Qm7

評価指標

MAE

評価結果

このベンチマークにおける各モデルのパフォーマンス結果

モデル名
MAE
Paper TitleRepository
ChemRL-GEM58.9ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction-
PretrainGNN113.2Strategies for Pre-training Graph Neural Networks-
N-GramRF92.8N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
GROVER (large)92.0Self-Supervised Graph Transformer on Large-Scale Molecular Data
GROVER (base)94.5Self-Supervised Graph Transformer on Large-Scale Molecular Data
D-MPNN103.5Analyzing Learned Molecular Representations for Property Prediction
Uni-Mol41.8Uni-Mol: A Universal 3D Molecular Representation Learning Framework
N-GramXGB81.9N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules
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