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SotA/Graphs/Initial Structure to Relaxed Energy (IS2RE)/OC20

Initial Structure to Relaxed Energy (IS2RE) on OC20

Metric: Energy MAE (lower is better)

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#Model↕Energy MAE▲Extra DataPaperDate↕Code
1GemNet-OC0.348NoGemNet-OC: Developing Graph Neural Networks for ...2022-04-06-
2GemNet-XL0.3712NoTowards Training Billion Parameter Graph Neural ...2022-03-18Code
3SpinConv0.436675NoRotation Invariant Graph Neural Networks using S...2021-06-17Code
4Noisy Nodes0.47225NoSimple GNN Regularisation for 3D Molecular Prope...2021-06-15Code