Configuration Set

ANI-2x-wB97X-631Gd_num_atoms_42__CS_dbdqn830cf8g_0




Name ANI-2x-wB97X-631Gd_num_atoms_42
Extended ID ANI-2x-wB97X-631Gd_num_atoms_42__CS_dbdqn830cf8g_0
Description Configurations with 42 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (11.65%)
H (61.53%)
N (3.18%)
O (23.61%)
S (0.03%)
Number of Configurations 22,627
Number of Atoms 950,334
Configurations