Configuration Set


Name xxMD-CASSCF_test_malonaldehyde
Extended ID xxMD-CASSCF_test_malonaldehyde__CS_qz8z9nf1qkli_0
Description Configurations of malonaldehyde from xxMD-CASSCF_test dataset
Elements C (33.33%)
H (44.44%)
O (22.22%)
Number of Configurations 7,000
Number of Atoms 63,000
Datasets DS_sytg0385f79a_0
ColabFit ID CS_qz8z9nf1qkli_0
Files colabfitspec.json

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