Configuration Set
ANI-2x-B973c-def2mTZVP_num_atoms_53__CS_8r47eziz426z_0
| Name | ANI-2x-B973c-def2mTZVP_num_atoms_53 |
|---|---|
| Extended ID | ANI-2x-B973c-def2mTZVP_num_atoms_53__CS_8r47eziz426z_0 |
| Description | Configurations with 53 atoms from ANI-2x-B973c-def2mTZVP dataset |
| Elements |
C (31.6%) H (52.76%) N (8.52%) O (6.66%) S (0.46%) |
| Number of Configurations | 209 |
| Number of Atoms | 11,077 |
| Configurations | |
| Datasets |
DS_gjr8gi1tb8wh_0 |
| ColabFit ID | CS_8r47eziz426z_0 |
| Files | colabfitspec.json |
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