Hii! Thanks for your amazing nablaDFT databases. I've downloaded the dataset_train_2k.db and connect it with sqlite. I find the ids and values are stored in Table number_key_values. I'm here to confirm that whether the energy of each conformer is the value after the moses_id (because class ase.Atoms connot directly get the potential energy without calculators)? Really thanks for your help.
Hii! Thanks for your amazing nablaDFT databases. I've downloaded the
dataset_train_2k.dband connect it with sqlite. I find the ids and values are stored inTable number_key_values. I'm here to confirm that whether the energy of each conformer is the value after themoses_id(because classase.Atomsconnot directly get the potential energy without calculators)? Really thanks for your help.