Configuration Set

ANI-2x-wB97X-631Gd_num_atoms_28__CS_34gttfw1le11_0




Name ANI-2x-wB97X-631Gd_num_atoms_28
Extended ID ANI-2x-wB97X-631Gd_num_atoms_28__CS_34gttfw1le11_0
Description Configurations with 28 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (33.06%)
Cl (0.13%)
F (0.09%)
H (53.4%)
N (6.47%)
O (5.99%)
S (0.85%)
Number of Configurations 40,136
Number of Atoms 1,123,808
Configurations