BioengineeringbioRxivPreprint
An SE(3)-equivariant Crystal Structure Prediction Framework for Prospective Identification and Development of Bioactive Nucleoside Self-Assembling Materials
Zi Wang, Tianyi Wang, Haixian Zhang…·Han Wang
The paper introduces SE3CSP, an SE(3)-equivariant deep-learning framework for crystal structure prediction of nucleosides, achieving 57% accuracy and enabling the discovery of bioactive self-assembling materials.
DOI 10.64898/2026.05.27.728070