WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry
机构 * Department of Computer and Information Science (IDA), Linköping University, Sweden(计算机与信息科学系(IDA),_linköping大学,瑞典) ; Department of Physics, Chemistry and Biology (IFM), Linköping University, Sweden(物理、化学与生物学系(IFM),_linköping大学,瑞典)
Comments Accepted to ICML 2025, official PMLR proceedings can be found at https://proceedings.mlr.press/v267/ekstrom-kelvinius25a.html. Code is available online at https://github.com/httk/wyckoffdiff