Configuration Set


Name xxMD-CASSCF_train_azobenzene
Extended ID xxMD-CASSCF_train_azobenzene__CS_b5o2eqszavli_0
Description Configurations of azobenzene from xxMD-CASSCF_train dataset
Elements C (50.0%)
H (41.67%)
N (8.33%)
Number of Configurations 4,199
Number of Atoms 100,776
Datasets DS_qvljl3vtdp0f_0
ColabFit ID CS_b5o2eqszavli_0
Files colabfitspec.json

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