Configuration Set


Name cG-SchNet_gap_relative_energy_predicted
Extended ID cG-SchNet_gap_relative_energy_predicted__CS_94xb3bb9nrdr_0
Description Configurations from cG-SchNet dataset with properties predicted using cG-SchNet model trained on HOMO-LUMO gap and relative atomic energy data
Elements C (37.97%)
H (44.8%)
N (9.07%)
O (7.74%)
F (0.42%)
Number of Configurations 8,678
Number of Atoms 132,872
Datasets DS_xzaglubh0trq_0
ColabFit ID CS_94xb3bb9nrdr_0
Files colabfitspec.json

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