Configuration Set


Name cG-SchNet_composition_relative_energy_predicted
Extended ID cG-SchNet_composition_relative_energy_predicted__CS_b68ukf9mvdxc_0
Description Configurations from cG-SchNet dataset with properties predicted using cG-SchNet model trained on atomic composition and relative atomic energy data
Elements C (37.43%)
H (53.19%)
O (6.43%)
N (2.94%)
F (0.02%)
Number of Configurations 34,176
Number of Atoms 673,476
Datasets DS_xzaglubh0trq_0
ColabFit ID CS_b68ukf9mvdxc_0
Files colabfitspec.json

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