Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_20__CS_pxu566dmkv7t_0




Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_20
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_20__CS_pxu566dmkv7t_0
Description Configurations with 20 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (33.43%)
Cl (0.21%)
F (0.24%)
H (52.07%)
N (7.87%)
O (5.02%)
S (1.16%)
Number of Configurations 184,361
Number of Atoms 3,687,220
Configurations
Datasets DS_yxeu6us2i6dh_0
ColabFit ID CS_pxu566dmkv7t_0
Files colabfitspec.json

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