Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_44__CS_usdh0erg10nh_0



Name ANI-2x-B973c-def2mTZVP_num_atoms_44
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_44__CS_usdh0erg10nh_0
Description Configurations with 44 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (35.9%)
Cl (0.03%)
H (48.27%)
N (7.6%)
O (7.82%)
S (0.39%)
Number of Configurations 9,763
Number of Atoms 429,572
Configurations
Datasets DS_gjr8gi1tb8wh_0
ColabFit ID CS_usdh0erg10nh_0
Files colabfitspec.json

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