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README.md
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SNet-T25 is an MLIP trained on the Titan25 dataset.
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It was designed for general chemical reactivity, including interfacial reactions,
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and trained on the eleven elements included in [Titan25](https://huggingface.co/datasets/aixsim/Titan25) (C, H, N, O, Ag, Au, Cu, Pd, Pt, Rh, Ru).
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which also provides full details of the model architecture and hyperparameters.
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The original SNet-T25 was trained
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we provide a converted
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To enable compatibility, the user only need to apply the following minor modifications:
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- Modify line 5 in `SevenNet/sevenn/__init__.py` to, e.g., `__version__ = '0.11.0'`. This allows the user to use it without installing SevenNet.
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- Comment out line 332 in `SevenNet/sevenn/checkpoint.py`, i.e., `assert len(missing) == 0, f'Missing keys: {missing}'`
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SNet-T25 is an MLIP trained on the Titan25 dataset.
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It was designed for general chemical reactivity, including interfacial reactions,
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and trained on the eleven elements included in [Titan25](https://huggingface.co/datasets/aixsim/Titan25) (C, H, N, O, Ag, Au, Cu, Pd, Pt, Rh, Ru).
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The evaluation results are available in [GAIA paper](https://arxiv.org/abs/2509.25798),
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which also provides full details of the model architecture and hyperparameters.
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The original SNet-T25 was trained with our in-house framework;
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we provide a converted checkpoint that can be used directly with [the SevenNet framework](https://github.com/MDIL-SNU/SevenNet).
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To enable compatibility, the user only need to apply the following minor modifications:
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| 20 |
- Modify line 5 in `SevenNet/sevenn/__init__.py` to, e.g., `__version__ = '0.11.0'`. This allows the user to use it without installing SevenNet.
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| 21 |
- Comment out line 332 in `SevenNet/sevenn/checkpoint.py`, i.e., `assert len(missing) == 0, f'Missing keys: {missing}'`
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