,

Xiaoyu Hu1, Xiuyuan Zhao2, Jiyuan Wang3

  • 1Department of Chemical Engineering and Materials Science, Stevens Institute of Technology, Hoboken, New Jersey, United States of America.

PloS one
|October 6, 2025
PubMed
概括

多尺度几何预训练 (MSG-Pre) 通过整合跨尺度的信息来改善分子表示学习. 这种新的框架增强了药物发现和纳米材料设计的预测.