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README.md
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## Subdirectories
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The dataset includes data for the models presented and benchmarked in our [preprint](https://arxiv.org/), with time intervals varying for each system.
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Additionally, we provide a small example dataset to help you get started with our [example notebooks](https://github.com/IBM).
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- **paracetamol**: Dataset for gas-phase paracetamol (20 atoms) using a time interval of 7 fs.
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- **quartz**: Data for crystalline quartz (162 atoms) using a time interval of 30 fs.
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## Subdirectories
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The dataset includes data for the models presented and benchmarked in our [preprint](https://arxiv.org/), with time intervals varying for each system.
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Additionally, we provide a small example dataset to help you get started with our [example notebooks](https://github.com/IBM/trajcast/examples).
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- **paracetamol**: Dataset for gas-phase paracetamol (20 atoms) using a time interval of 7 fs.
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| 20 |
- **quartz**: Data for crystalline quartz (162 atoms) using a time interval of 30 fs.
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