1 code implementation • 23 Mar 2024 • Zhendong Cao, Xiaoshan Luo, Jian Lv, Lei Wang
We introduce CrystalFormer, a transformer-based autoregressive model specifically designed for space group-controlled generation of crystalline materials.
no code implementations • Chemosphere 2023 • Wenxiang Li 1, Guangyi Huang 1, Ningning Tang 1, Peng Lu 1, Li Jiang 1, Jian Lv, Yuanjun Qin, Yunru Lin, Fan Xu **, Daizai Lei *
By utilizing interpretable methods, we discerned that Pb, Cd, Tl, and Co emerged as noteworthy contributors within the predictive model.