Configuration Set


Name cG-SchNet_fingerprint_predicted
Extended ID cG-SchNet_fingerprint_predicted__CS_hi3ggp6olsqy_0
Description Configurations from cG-SchNet dataset with properties predicted using cG-SchNet model trained on vector-valued molecular fingerprints
Elements C (36.37%)
H (51.79%)
O (7.66%)
N (4.15%)
F (0.03%)
Number of Configurations 29,077
Number of Atoms 553,347
Datasets DS_xzaglubh0trq_0
ColabFit ID CS_hi3ggp6olsqy_0
Files colabfitspec.json

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