Configuration Set


Name ANI-2x-B973c-def2mTZVP_num_atoms_46
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_46__CS_oogkdif7e2k0_0
Description Configurations with 46 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (34.46%)
H (50.58%)
N (7.77%)
O (7.16%)
S (0.03%)
Number of Configurations 6,515
Number of Atoms 299,690
Datasets DS_gjr8gi1tb8wh_0
ColabFit ID CS_oogkdif7e2k0_0
Files colabfitspec.json

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