README.md

metadata

license: cc-by-nc-sa-4.0
tags:
  - MLIP
  - MLFF
datasets:
  - aixsim/Titan25

SNet-T25

SNet-T25 is an MLIP trained on the Titan25 dataset.

Full details of the model architecture and hyperparameters are available at GAIA paper

The original SNet-T25 was trained using our in-house framework; we provide a converted version that can be directly used with the SevenNet framework. To enable compatibility, the user only need to apply the following minor modifications:

• 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.
• Comment out line 332 in SevenNet/sevenn/checkpoint.py, i.e., assert len(missing) == 0, f'Missing keys: {missing}'

Citation

If using this checkpoint, please cite our work as follows:

@article{gaia2025,
  title={Scalable Reactive Atomistic Dynamics with GAIA},
  author={Song, Suhwan and Kim, Heejae and Jang, Jaehee and Cho, Hyuntae and Kim, Gunhee and Kim, Geonu},
  journal={arXiv preprint arXiv:2509.25798},
  year={2025}
}