Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_40__CS_jx6k27qpx4fl_0



Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_40
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_40__CS_jx6k27qpx4fl_0
Description Configurations with 40 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (31.09%)
F (0.03%)
H (50.02%)
N (8.64%)
O (10.05%)
S (0.18%)
Number of Configurations 21,931
Number of Atoms 877,240
Configurations
Datasets DS_yxeu6us2i6dh_0
ColabFit ID CS_jx6k27qpx4fl_0
Files colabfitspec.json

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.