Configuration Set


Name ANI-1__num_heavy_1__standard_energy
Extended ID ANI-1__num_heavy_1__standard_energy__CS_b2eb54suldw6_0
Description Configurations from ANI-1 with 1 heavy atoms and standard energy (that is, not high energy)
Elements C (11.54%)
H (76.92%)
N (7.69%)
O (3.85%)
Number of Configurations 10,800
Number of Atoms 46,800
Datasets DS_p4evspy1ntcs_0
ColabFit ID CS_b2eb54suldw6_0
Files colabfitspec.json

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