Configuration Set

ANI-2x-wB97X-631Gd_num_atoms_36__CS_t42hqb733i3m_0



Name ANI-2x-wB97X-631Gd_num_atoms_36
Extended ID ANI-2x-wB97X-631Gd_num_atoms_36__CS_t42hqb733i3m_0
Description Configurations with 36 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (14.53%)
H (59.44%)
N (3.82%)
O (22.05%)
S (0.17%)
Number of Configurations 51,889
Number of Atoms 1,868,004
Configurations