Configuration Set

GFN2__CS_4o5nvkvf2880_0




Name GFN2
Extended ID GFN2__CS_4o5nvkvf2880_0
Description Configurations from the mbGDML set predicted using XTB at GFN2 level of theory
Elements C (20.0%)
H (60.0%)
N (6.67%)
O (13.33%)
Number of Configurations 3,003
Number of Atoms 90,090
Configurations
Datasets DS_e94my2wrh074_0
ColabFit ID CS_4o5nvkvf2880_0
Files colabfitspec.json

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