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README.md
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## Dataset Description
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The MatPL dataset is an example dataset for training material potentials with `OneScience/NEP`. It contains multiple material systems, including AuAg, Cu, HfO2, and LiSiC, and covers the `pwmat/movement`, `pwmlff/npy`, and `extxyz` data formats. The data include atomic coordinates, simulation cell information, energies, and forces for different material systems in different configurations, and serve as a standard benchmark dataset for learning and validating machine-learning interatomic potential methods such as NEP.
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The current data package contains approximately 636 files and is approximately 38 MB in size.
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```bash
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hf download --dataset OneScience-
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```
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## Dataset Description
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The MatPL dataset is an example dataset for training material potentials with `OneScience-Group/NEP`. It contains multiple material systems, including AuAg, Cu, HfO2, and LiSiC, and covers the `pwmat/movement`, `pwmlff/npy`, and `extxyz` data formats. The data include atomic coordinates, simulation cell information, energies, and forces for different material systems in different configurations, and serve as a standard benchmark dataset for learning and validating machine-learning interatomic potential methods such as NEP.
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The current data package contains approximately 636 files and is approximately 38 MB in size.
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```bash
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hf download --dataset OneScience-Group/MatPL --local-dir ./data
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```
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