Configuration Set
ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_53__CS_3omel1gwv9dj_0
| Name | ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_53 |
|---|---|
| Extended ID | ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_53__CS_3omel1gwv9dj_0 |
| Description | Configurations with 53 atoms from ANI-2x-wB97MD3BJ-def2TZVPP 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_yxeu6us2i6dh_0 |
| ColabFit ID | CS_3omel1gwv9dj_0 |
| Files | colabfitspec.json |
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