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Energy and force prediction on MD17 Toluene (test)

0.09Energy MAE (kcal/mol)

SchNet

-0.02440.74781.522.2922Jun 26, 2017Jul 11, 2017Jul 27, 2017Aug 12, 2017Aug 28, 2017Sep 13, 2017Sep 29, 2017
Updated 4d ago

Evaluation Results

MethodLinks
2017.06
0.090.09
2017.09
0.09-
2017.06
0.120.24
2017.06
0.120.57
2017.09
0.12-
2017.09
0.12-
2017.06
0.16-
2017.09
0.16-
2017.06
0.181.79
2017.09
0.18-
2017.06
2.9522.31
2017.09
2.95-