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README.md
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- 100K<n<1M
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# Citation
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If using this benchmark, please cite our work as follows:
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```
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- 100K<n<1M
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# GAIA-Bench
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GAIA-Bench was constructed to assess the ability of MLIP models to predict physical properties.
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It covers 11 elements (C, H, N, O, Ag, Au, Cu, Pd, Pt, Rh, Ru),
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which comprises four benchmark tasks:
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- intermolecular interactions (mol2mol)
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- bulk energy-volume relations (bulk)
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- surface facet stability (slab)
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- molecule-surface adsorption energetics (mol2surf)
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For each task, two `.extxyz` files are provided for energy and force evaluation, respectively.
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[GAIA paper](https://arxiv.org/abs/2509.25798) includes
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- full details on the construction of the benchmark
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- the evaluation results on the benchmark
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# Citation
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If using this benchmark, please cite our work as follows:
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```
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