Enhancing Generalizability in Molecular Conformation Generation with METRIZATION-Informed Geometric Diffusion Pretraining. - Xiaozhuang Song; Yuzhao Tu; Hangting Ye; Wei Fan 010; Qingquan Zhang; Xiaoxue Wang; Tianshu Yu 001 (AAAI, 2025)

Enhancing Molecular Conformer Generation via Fragment- Augmented Diffusion Pretraining. - Xiaozhuang Song; Yuzhao Tu; Tianshu Yu 001 (Trans. Mach. Learn. Res., 2025)