Configuration Set

cG-SchNet-composition-relative-energy-predicted__CS_7o4yer09jmni_0




Name cG-SchNet-composition-relative-energy-predicted
Extended ID cG-SchNet-composition-relative-energy-predicted__CS_7o4yer09jmni_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%)
N (2.94%)
O (6.43%)
F (0.02%)
Number of Configurations 34,176
Number of Atoms 673,476
Configurations