Configuration Set

ANI-2x-wB97MV-def2TZVPP_num_atoms_29__CS_mn62lkvibaso_0



Name ANI-2x-wB97MV-def2TZVPP_num_atoms_29
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_29__CS_mn62lkvibaso_0
Description Configurations with 29 atoms from ANI-2x-wB97MV-def2TZVPP dataset
Elements C (32.24%)
Cl (0.08%)
F (0.09%)
H (55.38%)
N (5.86%)
O (5.79%)
S (0.57%)
Number of Configurations 39,597
Number of Atoms 1,148,313
Configurations
Datasets DS_wxf8f3t3abul_0
ColabFit ID CS_mn62lkvibaso_0
Files colabfitspec.json

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