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Guaranteed non-local cumulene

Benchmarks

Task NameDataset NameSOTA ResultTrend
Energy and force predictionGuaranteed non-local cumulene Out-of-Domain nc 15 16 (test)
Energy RMSE (meV/atom)2.6
3
Energy and force predictionGuaranteed non-local cumulene Out-of-Domain nc 11 12 (test)
Energy RMSE (meV/atom)0.9
3
Energy and force predictionGuaranteed non-local cumulene In-Domain, nc 3-10, 13, 14 (test)
Energy RMSE (meV/atom)2.6
3
Energy and force predictionGuaranteed non-local cumulene nc 3-10, 13, 14 (train)
Energy RMSE (meV/atom)2
3
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