Configuration Set

ANI-2x-wB97X-631Gd_num_atoms_7__CS_8eog7o7iycbc_0



Name ANI-2x-wB97X-631Gd_num_atoms_7
Extended ID ANI-2x-wB97X-631Gd_num_atoms_7__CS_8eog7o7iycbc_0
Description Configurations with 7 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (26.15%)
Cl (3.79%)
F (3.83%)
H (33.9%)
N (15.15%)
O (11.97%)
S (5.21%)
Number of Configurations 106,419
Number of Atoms 744,933
Configurations
Datasets DS_rde4chkdmm18_0
ColabFit ID CS_8eog7o7iycbc_0
Files colabfitspec.json

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