CataLiUst Ti2C-MXene Dataset

https://github.com/CataLiUst If you find our work useful, please cite the paper @inproceedings{ melnyk2025equivariant, title={{Equivariant Modelling for Catalysis on 2D MXenes}}, author={Pavlo Melnyk and Anmar Karmush and Ania Beatriz Rodr{\'\i}guez-Barrera and M{\r{a}}rten Wadenb{\"a}ck and Michael Felsberg and Johanna Rosen and Jonas Bj{\"o}rk}, booktitle={{EurIPS 2025 Workshop on SIMBIOCHEM}}, year={2025} }