nablaDFT
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Question on which specific database contains energy and forces
In this work, we aim to aid the training of Hamiltonian-predicting models and NNPs for druglike
molecules by significantly extending and improving the nablaDFT dataset [11]. We double the number
of molecules and conformations to 1,936,929 and 12,676,264, respectively.
May I know while database file contains these 12,676,264 conformations with energy and forces?