Configuration Set

ANI-1__num_heavy_3__standard_energy__CS_u35wjqnoqwp6_0



Name ANI-1__num_heavy_3__standard_energy
Extended ID ANI-1__num_heavy_3__standard_energy__CS_u35wjqnoqwp6_0
Description Configurations from ANI-1 with 3 heavy atoms and standard energy (that is, not high energy)
Elements C (24.32%)
H (62.81%)
N (6.61%)
O (6.26%)
Number of Configurations 151,200
Number of Atoms 1,219,680
Configurations
Datasets DS_p4evspy1ntcs_0
ColabFit ID CS_u35wjqnoqwp6_0
Files colabfitspec.json

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