Dataset
NEP-qHPF-train
Download Dataset XYZ file
| Name | NEP-qHPF-train |
|---|---|
| Extended ID | NEP-qHPF-train_Ying__DS_fydj6ftcvdxm_0 |
| Description | The train set of a train and test set pair.The combined datasets comprise approximately 275 configurations of monolayer quasi-hexagonal-phase fullerene (qHPF) membrane used to train and test an NEP model. |
| Authors |
Penghua Ying |
| Elements |
C (100.0%) |
| Number of Data Objects | 238 |
| Number of Configurations | 238 |
| Number of Atoms | 28,560 |
| Links |
https://doi.org/10.5281/zenodo.7018572 https://doi.org/10.1016/j.eml.2022.101929 |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| Data Objects | |
| ColabFit ID | DS_fydj6ftcvdxm_0 |
| Files | colabfitspec.json |
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