Configuration Set

ANI-2x-wB97MV-def2TZVPP_num_atoms_43__CS_foycwntkh18q_0



Name ANI-2x-wB97MV-def2TZVPP_num_atoms_43
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_43__CS_foycwntkh18q_0
Description Configurations with 43 atoms from ANI-2x-wB97MV-def2TZVPP dataset
Elements C (31.77%)
H (50.71%)
N (8.72%)
O (8.64%)
S (0.16%)
Number of Configurations 17,054
Number of Atoms 733,322
Configurations
Datasets DS_wxf8f3t3abul_0
ColabFit ID CS_foycwntkh18q_0
Files colabfitspec.json

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