Simplify dataset paths and sources section
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README.md
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@@ -46,33 +46,19 @@ print(len(db))
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db.close()
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```
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##
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The main public dataset paths currently exposed in this repository
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- `lematbulk/pbe`
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- `matpes/pbe`
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- `
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- `
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- `
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- `omat/train`
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- `omat/val`
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These paths may be stored as one `.atp` file or as a shard directory.
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`atompack.hub.open(...)` handles both through the same read-only API.
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## Upstream Dataset Sources
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The packaged datasets in this repository come from the following upstream sources:
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- `lematbulk/pbe`: [LeMat-Bulk](https://huggingface.co/datasets/LeMaterial/LeMat-Bulk). If you use this path, cite LeMat-Bulk.
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- `matpes/pbe`, `matpes/r2scan`: [MatPES](https://docs.materialsproject.org/collaborations/matpes). If you use these paths, cite MatPES.
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- `mp_aloe`: [MP-ALOE](https://www.nature.com/articles/s41524-025-01834-9). If you use this path, cite MP-ALOE.
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- `mptrj`: [MPtrj](https://docs.materialsproject.org/services/ml-and-ai-applications/mptrj). If you use this path, cite MPtrj.
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- `omat/train`, `omat/val`: [OMAT24](https://huggingface.co/datasets/facebook/OMAT24). If you use these paths, cite OMAT24.
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If you use one of these dataset paths, please cite the corresponding upstream dataset.
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## Why Atompack
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Atompack is designed for the point where atomistic datasets stop behaving like small scientific
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db.close()
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```
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## Dataset Paths and Sources
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The main public dataset paths currently exposed in this repository are:
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- `lematbulk/pbe`, from [LeMat-Bulk](https://huggingface.co/datasets/LeMaterial/LeMat-Bulk). If you use this path, cite LeMat-Bulk.
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- `matpes/pbe` and `matpes/r2scan`, from [MatPES](https://docs.materialsproject.org/collaborations/matpes). If you use these paths, cite MatPES.
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- `mp_aloe`, from [MP-ALOE](https://www.nature.com/articles/s41524-025-01834-9). If you use this path, cite MP-ALOE.
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- `mptrj`, from [MPtrj](https://docs.materialsproject.org/services/ml-and-ai-applications/mptrj). If you use this path, cite MPtrj.
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- `omat/train` and `omat/val`, from [OMAT24](https://huggingface.co/datasets/facebook/OMAT24). If you use these paths, cite OMAT24.
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These paths may be stored as one `.atp` file or as a shard directory.
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`atompack.hub.open(...)` handles both through the same read-only API.
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## Why Atompack
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Atompack is designed for the point where atomistic datasets stop behaving like small scientific
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