Configuration Set


Name cG-SchNet-gap-relative-energy-predicted
Extended ID cG-SchNet-gap-relative-energy-predicted__CS_qc5t9oq22rhv_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_bj8v98iazsm5_0
ColabFit ID CS_qc5t9oq22rhv_0
Files colabfitspec.json

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