Configuration Set

ANI-2x-wB97X-631Gd_num_atoms_34__CS_ut4r3xnd5jrh_0



Name ANI-2x-wB97X-631Gd_num_atoms_34
Extended ID ANI-2x-wB97X-631Gd_num_atoms_34__CS_ut4r3xnd5jrh_0
Description Configurations with 34 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (30.65%)
Cl (0.0%)
F (0.03%)
H (50.27%)
N (8.56%)
O (10.03%)
S (0.46%)
Number of Configurations 27,860
Number of Atoms 947,240
Configurations
Datasets DS_rde4chkdmm18_0
ColabFit ID CS_ut4r3xnd5jrh_0
Files colabfitspec.json

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