Configuration Set
ANI-2x-wB97X-631Gd_num_atoms_55__CS_4uqykdt9p59c_0
| Name | ANI-2x-wB97X-631Gd_num_atoms_55 |
|---|---|
| Extended ID | ANI-2x-wB97X-631Gd_num_atoms_55__CS_4uqykdt9p59c_0 |
| Description | Configurations with 55 atoms from ANI-2x-wB97X-631Gd dataset |
| Elements |
C (31.56%) H (64.35%) N (0.55%) O (3.54%) |
| Number of Configurations | 59 |
| Number of Atoms | 3,245 |
| Configurations | |
| Datasets |
DS_rde4chkdmm18_0 |
| ColabFit ID | CS_4uqykdt9p59c_0 |
| Files | colabfitspec.json |
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