SOTAVerified

Initial Structure to Relaxed Energy (IS2RE)

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 1–4 of 4 papers

TitleStatusHype
GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets—0
Towards Training Billion Parameter Graph Neural Networks for Atomic Simulations—0
Rotation Invariant Graph Neural Networks using Spin ConvolutionsCode2
Simple GNN Regularisation for 3D Molecular Property Prediction & BeyondCode1
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Benchmark Results

#ModelMetricClaimedVerifiedStatus
1Noisy NodesEnergy MAE0.47—Unverified
2SpinConvEnergy MAE0.44—Unverified
3GemNet-XLEnergy MAE0.37—Unverified
4GemNet-OCEnergy MAE0.35—Unverified