2025 "binding affinity prediction" Papers
3 papers found
CPSea: Large-scale cyclic peptide-protein complex dataset for machine learning in cyclic peptide design
Ziyi Yang, Hanyuan Xie, Yinjun Jia et al.
NeurIPS 2025poster
Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models
Cong Fu, Xiner Li, Blake Olson et al.
ICLR 2025posterarXiv:2408.09730
10
citations
Prior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom Number
Jingyuan Zhou, Hao Qian, Shikui Tu et al.
NeurIPS 2025posterarXiv:2509.01486