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README.md
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### Dataset Description
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- **Repository**
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- **Paper**
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- **Data format**
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- **Computation scale**
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- **Molecular scope**
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- **Element coverage**
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### Subsets
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### Dataset Description
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- **Repository** [https://github.com/ByteDance-Seed/THEMol](https://github.com/ByteDance-Seed/THEMol)
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- **Paper** [https://arxiv.org/abs/XXXX.XXXXX](https://arxiv.org/abs/XXXX.XXXXX)
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- **Data format** CSV index files plus HDF5 data files.
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- **Computation scale** more than three billion DFT calculations across five subsets.
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- **Molecular scope** organic molecules with up to 50 non-hydrogen atoms.
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- **Element coverage** H, C, N, O, S, F, Cl, Br, Si, B, P, and I.
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### Subsets
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