OpenCodePapers

graph-property-prediction-on-qm9

Graph Property Prediction
Dataset Link
Results over time
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PaperCodeStandardized MAElogMAEalpha (ma)gap (meV)ModelNameReleaseDate
GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks✓ Link0.52-6.412819.8GotenNet (Large)2025-04-24
GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks✓ Link0.56-6.353220.5GotenNet (Base)2025-04-24
GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks✓ Link0.60-6.293321.2GotenNet (Small)2025-04-24
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations✓ Link0.67-5.874729EquiformerV22023-06-21
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs✓ Link0.70-5.824630Equiformer2022-06-23
[]()0.75-6.124033.8Geoformer
TorchMD-NET: Equivariant Transformers for Neural Network based Molecular Potentials✓ Link0.84-5.905936.1TorchMD-NET2022-02-05
[]()0.86-5.285332EQGAT
Geometric and Physical Quantities Improve E(3) Equivariant Message Passing✓ Link1.08-5.276042SEGNN2021-10-06
E(n) Equivariant Graph Neural Networks✓ Link1.23-5.437148EGNN2021-02-19