Configuration Set


Name cG-SchNet-fingerprint-predicted
Extended ID cG-SchNet-fingerprint-predicted__CS_j8la9x2up2tp_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%)
N (4.15%)
O (7.66%)
F (0.03%)
Number of Configurations 29,077
Number of Atoms 553,347
Datasets DS_bj8v98iazsm5_0
ColabFit ID CS_j8la9x2up2tp_0
Files colabfitspec.json

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