Configuration Set

ANI-2x-wB97X-631Gd_num_atoms_51__CS_qw1hblavculs_0




Name ANI-2x-wB97X-631Gd_num_atoms_51
Extended ID ANI-2x-wB97X-631Gd_num_atoms_51__CS_qw1hblavculs_0
Description Configurations with 51 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (40.88%)
H (45.31%)
N (7.35%)
O (6.39%)
S (0.07%)
Number of Configurations 1,362
Number of Atoms 69,462
Configurations
Datasets DS_rde4chkdmm18_0
ColabFit ID CS_qw1hblavculs_0
Files colabfitspec.json

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