Configuration Set

cG-SchNet_polarizability_computed__CS_r3g1taa0bwsq_0



Name cG-SchNet_polarizability_computed
Extended ID cG-SchNet_polarizability_computed__CS_r3g1taa0bwsq_0
Description Configurations from cG-SchNet dataset with relaxation properties computed using ORCA, based on cG-Schnet model trained on isotropic polarizability data
Elements C (36.61%)
H (52.29%)
O (9.96%)
N (1.04%)
F (0.11%)
Number of Configurations 3,609
Number of Atoms 67,595
Configurations
Datasets DS_xzaglubh0trq_0
ColabFit ID CS_r3g1taa0bwsq_0
Files colabfitspec.json

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