Configuration Set
cG-SchNet_gap_relative_energy_predicted__CS_94xb3bb9nrdr_0
| Name | cG-SchNet_gap_relative_energy_predicted |
|---|---|
| Extended ID | cG-SchNet_gap_relative_energy_predicted__CS_94xb3bb9nrdr_0 |
| Description | Configurations from cG-SchNet dataset with properties predicted using cG-SchNet model trained on HOMO-LUMO gap and relative atomic energy data |
| Elements |
C (37.97%) H (44.8%) N (9.07%) O (7.74%) F (0.42%) |
| Number of Configurations | 8,678 |
| Number of Atoms | 132,872 |
| Configurations | |
| Datasets |
DS_xzaglubh0trq_0 |
| ColabFit ID | CS_94xb3bb9nrdr_0 |
| Files | colabfitspec.json |
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