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3BPA

Benchmarks

Task NameDataset NameSOTA ResultTrend
Interatomic Potential Prediction3BPA 1200 K
Energy RMSE (meV)23.42
16
Interatomic Potential Prediction3BPA 600 K
Energy RMSE (meV)8.1
16
Interatomic Potential Prediction3BPA 300 K
Energy RMSE (meV)2.69
16
Energy and force prediction3BPA (Dihedral slices)
Energy RMSE7.6
16
Energy and force prediction3BPA 1200 K (test)
Energy RMSE29.8
14
Energy and force prediction3BPA 600 K (test)
Energy RMSE9.7
14
Energy and force prediction3BPA 300 K (test)
Energy RMSE2.9
14
Molecular Property Prediction3BPA 1200 K v1 (test)
Energy RMSE (meV)29.8
7
Molecular Property Prediction3BPA 600 K v1 (test)
Energy RMSE9.7
7
Molecular Property Prediction3BPA 300 K v1 (test)
Energy RMSE (meV)3
7
Molecular Property Prediction3BPA Dihedral Slices v1 (test)
Energy RMSE (meV)7.8
5
Showing 11 of 11 rows