Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_26__CS_rj8m3lgepezy_0



Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_26
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_26__CS_rj8m3lgepezy_0
Description Configurations with 26 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (33.09%)
Cl (0.15%)
F (0.13%)
H (52.19%)
N (7.54%)
O (5.98%)
S (0.91%)
Number of Configurations 54,763
Number of Atoms 1,423,838
Configurations
Datasets DS_yxeu6us2i6dh_0
ColabFit ID CS_rj8m3lgepezy_0
Files colabfitspec.json

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