Configuration Set


Name cG-SchNet_gap_predicted
Extended ID cG-SchNet_gap_predicted__CS_8jsich5xzdkk_0
Description Configurations from cG-SchNet dataset with properties predicted using cG-SchNet model trained on HOMO-LUMO gap data
Elements C (35.0%)
H (55.0%)
N (5.0%)
O (5.0%)
Number of Configurations 2,960
Number of Atoms 59,200
Datasets DS_xzaglubh0trq_0
ColabFit ID CS_8jsich5xzdkk_0
Files colabfitspec.json

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