Configuration Set


Name ANI-2x-wB97MV-def2TZVPP_num_atoms_44
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_44__CS_cmt372ym0e1c_0
Description Configurations with 44 atoms from ANI-2x-wB97MV-def2TZVPP dataset
Elements C (35.9%)
Cl (0.03%)
H (48.27%)
N (7.6%)
O (7.82%)
S (0.39%)
Number of Configurations 9,764
Number of Atoms 429,616
Datasets DS_wxf8f3t3abul_0
ColabFit ID CS_cmt372ym0e1c_0
Files colabfitspec.json

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