Configuration Set
ANI-2x-wB97X-631Gd_num_atoms_54__CS_f43rt2l9p8i0_0
Name | ANI-2x-wB97X-631Gd_num_atoms_54 |
---|---|
Extended ID | ANI-2x-wB97X-631Gd_num_atoms_54__CS_f43rt2l9p8i0_0 |
Description | Configurations with 54 atoms from ANI-2x-wB97X-631Gd dataset |
Elements |
C (40.39%) H (44.87%) N (7.38%) O (7.36%) |
Number of Configurations | 74 |
Number of Atoms | 3,996 |
Configurations | |
Datasets |
DS_rde4chkdmm18_0 |
ColabFit ID | CS_f43rt2l9p8i0_0 |
Files | colabfitspec.json |
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