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Cite this dataset
Mo, P., Li, C., Zhao, D., Zhang, Y., Shi, M., Li, J., and Liu, J. NVNMD GeTe. ColabFit, 2023. https://doi.org/10.60732/c741fb0f
Cite this dataset
Mo, P., Li, C., Zhao, D., Zhang, Y., Shi, M., Li, J., and Liu, J. NVNMD GeTe. ColabFit, 2023. https://doi.org/10.60732/c741fb0fThis dataset has been curated and formatted for the ColabFit Exchange
This dataset is also available on the ColabFit Exchange:
https://materials.colabfit.org/id/DS_0gyf3srv7xh7_0
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Dataset Name
NVNMD GeTe
Description
Approximately 5,000 configurations of GeTe used in training of a non-von Neumann multiplication-less DNN model.
Dataset authors
Pinghui Mo, Chang Li, Dan Zhao, Yujia Zhang, Mengchao Shi, Junhua Li, Jie Liu
Publication
https://doi.org/10.1038/s41524-022-00773-z
Original data link
https://github.com/LiuGroupHNU/nvnmd
License
LGPL-3.0
Number of unique molecular configurations
5025
Number of atoms
321600
Elements included
Ge, Te
Properties included
energy, atomic forces
Usage
ds.parquet: Aggregated dataset information.co/directory: Configuration rows each include a structure, calculated properties, and metadata.cs/directory : Configuration sets are subsets of configurations grouped by some common characteristic. Ifcs/does not exist, no configurations sets have been defined for this dataset.cs_co_map/directory : The mapping of configurations to configuration sets (if defined).
ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:
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