Configuration Set

ANI-2x-wB97MV-def2TZVPP_num_atoms_46__CS_sycdu9q2j43x_0



Name ANI-2x-wB97MV-def2TZVPP_num_atoms_46
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_46__CS_sycdu9q2j43x_0
Description Configurations with 46 atoms from ANI-2x-wB97MV-def2TZVPP dataset
Elements C (34.46%)
H (50.58%)
N (7.77%)
O (7.16%)
S (0.03%)
Number of Configurations 6,515
Number of Atoms 299,690
Configurations
Datasets DS_wxf8f3t3abul_0
ColabFit ID CS_sycdu9q2j43x_0
Files colabfitspec.json

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