Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_51__CS_pnjkvz5qr8uc_0




Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_51
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_51__CS_pnjkvz5qr8uc_0
Description Configurations with 51 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (40.88%)
H (45.31%)
N (7.35%)
O (6.39%)
S (0.07%)
Number of Configurations 1,361
Number of Atoms 69,411
Configurations
Datasets DS_yxeu6us2i6dh_0
ColabFit ID CS_pnjkvz5qr8uc_0
Files colabfitspec.json

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