Configuration Set


Name ANI-2x-wB97X-631Gd_num_atoms_49
Extended ID ANI-2x-wB97X-631Gd_num_atoms_49__CS_axdqvkr2w50b_0
Description Configurations with 49 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (27.73%)
H (54.05%)
N (12.14%)
O (5.92%)
S (0.16%)
Number of Configurations 1,661
Number of Atoms 81,389
Datasets DS_rde4chkdmm18_0
ColabFit ID CS_axdqvkr2w50b_0
Files colabfitspec.json

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