Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_37__CS_qnphfj1ym5nr_0



Name ANI-2x-B973c-def2mTZVP_num_atoms_37
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_37__CS_qnphfj1ym5nr_0
Description Configurations with 37 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (31.38%)
H (48.51%)
N (9.05%)
O (10.57%)
S (0.49%)
Number of Configurations 21,367
Number of Atoms 790,579
Configurations
Datasets DS_gjr8gi1tb8wh_0
ColabFit ID CS_qnphfj1ym5nr_0
Files colabfitspec.json

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