Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_22__CS_raw7s1s6xyst_0



Name ANI-2x-B973c-def2mTZVP_num_atoms_22
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_22__CS_raw7s1s6xyst_0
Description Configurations with 22 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (35.33%)
Cl (0.21%)
F (0.19%)
H (50.23%)
N (8.02%)
O (4.98%)
S (1.03%)
Number of Configurations 104,958
Number of Atoms 2,309,076
Configurations
Datasets DS_gjr8gi1tb8wh_0
ColabFit ID CS_raw7s1s6xyst_0
Files colabfitspec.json

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