Configuration Set


Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_53
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_53__CS_3omel1gwv9dj_0
Description Configurations with 53 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (31.6%)
H (52.76%)
N (8.52%)
O (6.66%)
S (0.46%)
Number of Configurations 209
Number of Atoms 11,077
Datasets DS_yxeu6us2i6dh_0
ColabFit ID CS_3omel1gwv9dj_0
Files colabfitspec.json

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