Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_47__CS_fey4s6l4nj7s_0



Name ANI-2x-B973c-def2mTZVP_num_atoms_47
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_47__CS_fey4s6l4nj7s_0
Description Configurations with 47 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (33.49%)
H (49.61%)
N (9.62%)
O (7.26%)
S (0.03%)
Number of Configurations 6,683
Number of Atoms 314,101
Configurations
Datasets DS_gjr8gi1tb8wh_0
ColabFit ID CS_fey4s6l4nj7s_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.