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Molecular energy and force prediction on ISO17 (unknown molecules unknown conformation)

2.4Energy MAE (kcal/mol)

SchNet

1.87565.41538.95512.4947Jun 26, 2017Oct 5, 2017Jan 14, 2018Apr 25, 2018Aug 4, 2018Nov 13, 2018Feb 22, 2019
Updated 1mo ago

Evaluation Results

MethodLinks
2017.06
2.42.18
2019.02
2.42.18
2019.02
2.861.13
2019.02
2.941.38
2017.06
3.115.71
2017.06
15.5119.15