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Its line of work

The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal $\text{mol}^{-1}$ for energies and 1 kcal $\text{mol}^{-1}$ $\textÅ^{-1}$ for atomic forces using only 1000 conformational geometries for training.

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ClaimStatusCheckableCredenceUseStakesRests on
The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an a…○ uncheckedyes0.55010.2—

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