Configuration Set
ANI-2x-B973c-def2mTZVP_num_atoms_52__CS_wrtv89opnqqn_0
Name | ANI-2x-B973c-def2mTZVP_num_atoms_52 |
---|---|
Extended ID | ANI-2x-B973c-def2mTZVP_num_atoms_52__CS_wrtv89opnqqn_0 |
Description | Configurations with 52 atoms from ANI-2x-B973c-def2mTZVP dataset |
Elements |
C (23.52%) H (53.74%) N (15.02%) O (7.72%) |
Number of Configurations | 74 |
Number of Atoms | 3,848 |
Configurations |
CO_7745478151239464313841115 |
Datasets |
DS_gjr8gi1tb8wh_0 |
ColabFit ID | CS_wrtv89opnqqn_0 |
Files | colabfitspec.json |
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