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README.md
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Titan25 is an MLIP dataset constructed by [GAIA](https://arxiv.org/abs/2509.25798).
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Spanning eleven elements (C, H, N, O, Ag, Au, Cu, Pd, Pt, Rh, Ru),
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it supports the development of MLIPs that robustly capture general chemical reactions, including interfacial processes.
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[The GAIA paper](https://arxiv.org/abs/2509.25798) includes
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- full details on the construction of the dataset
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- evaluation results on the dataset
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Titan25 is an MLIP dataset constructed by [GAIA](https://arxiv.org/abs/2509.25798).
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Spanning eleven elements (C, H, N, O, Ag, Au, Cu, Pd, Pt, Rh, Ru),
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it supports the development of MLIPs that robustly capture general chemical reactions, including interfacial processes.
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[The GAIA paper](https://arxiv.org/abs/2509.25798) includes
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- full details on the construction of the dataset
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- evaluation results on the dataset
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