Configuration Set

ANI-2x-wB97MV-def2TZVPP_num_atoms_4__CS_gvyc4tp3xjay_0



Name ANI-2x-wB97MV-def2TZVPP_num_atoms_4
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_4__CS_gvyc4tp3xjay_0
Description Configurations with 4 atoms from ANI-2x-wB97MV-def2TZVPP dataset
Elements C (10.51%)
Cl (10.08%)
F (8.08%)
H (36.98%)
N (13.96%)
O (14.68%)
S (5.7%)
Number of Configurations 18,235
Number of Atoms 72,940
Configurations
Datasets DS_wxf8f3t3abul_0
ColabFit ID CS_gvyc4tp3xjay_0
Files colabfitspec.json

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