Does the Cormorant model results of MD17 in Table 1 only trained on geometry energies or both energies and forces? #3

Frank-LIU-520 · 2020-12-21T16:16:13Z

In the table 1 of your paper, did you retrain all the SchNet, sGDML and GDML, SchNet model only on energy or on both energies and forces? Or taken the value from their original published literature.

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Does the Cormorant model results of MD17 in Table 1 only trained on geometry energies or both energies and forces? #3

Does the Cormorant model results of MD17 in Table 1 only trained on geometry energies or both energies and forces? #3

Frank-LIU-520 commented Dec 21, 2020

Does the Cormorant model results of MD17 in Table 1 only trained on geometry energies or both energies and forces? #3

Does the Cormorant model results of MD17 in Table 1 only trained on geometry energies or both energies and forces? #3

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Frank-LIU-520 commented Dec 21, 2020