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README.md
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Preprocessed training and evaluation data for **OrbFlow** (equivariant flow matching for atomic-orbital
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coefficients and electron density).
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- Code: https://github.com/
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- Checkpoints: [divelab/OrbFlow](https://huggingface.co/divelab/OrbFlow)
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## Contents
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> Use it with the `lmdb/` from this repository, or with an LMDB rebuilt by the unmodified script from all 134
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> original DTU tarballs. A mismatched LMDB makes training stop with a clear error.
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##
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TODO:
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Preprocessed training and evaluation data for **OrbFlow** (equivariant flow matching for atomic-orbital
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coefficients and electron density).
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- Code: https://github.com/divelab/AIRS/tree/main/OpenDFT/OrbFlow
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- Checkpoints: [divelab/OrbFlow](https://huggingface.co/divelab/OrbFlow)
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## Contents
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> Use it with the `lmdb/` from this repository, or with an LMDB rebuilt by the unmodified script from all 134
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> original DTU tarballs. A mismatched LMDB makes training stop with a clear error.
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## Citation
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TODO: citation.
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