Configuration Set


Name ANI-2x-wB97X-631Gd_num_atoms_48
Extended ID ANI-2x-wB97X-631Gd_num_atoms_48__CS_cdlk5bl21rvv_0
Description Configurations with 48 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (37.35%)
H (47.78%)
N (7.28%)
O (7.55%)
S (0.04%)
Number of Configurations 4,105
Number of Atoms 197,040
Datasets DS_rde4chkdmm18_0
ColabFit ID CS_cdlk5bl21rvv_0
Files colabfitspec.json

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