Configuration Set
cG-SchNet_composition_relative_energy_predicted__CS_b68ukf9mvdxc_0
| Name | cG-SchNet_composition_relative_energy_predicted |
|---|---|
| Extended ID | cG-SchNet_composition_relative_energy_predicted__CS_b68ukf9mvdxc_0 |
| Description | Configurations from cG-SchNet dataset with properties predicted using cG-SchNet model trained on atomic composition and relative atomic energy data |
| Elements |
C (37.43%) H (53.19%) O (6.43%) N (2.94%) F (0.02%) |
| Number of Configurations | 34,176 |
| Number of Atoms | 673,476 |
| Configurations | |
| Datasets |
DS_xzaglubh0trq_0 |
| ColabFit ID | CS_b68ukf9mvdxc_0 |
| Files | colabfitspec.json |
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