2 papers
cs.LG2026
Evolution-Aware MSA Reasoning for Subsampling via Factor Graphs
Zhangzhi Xiong, Minzhang Li, Haotian Yu +6
Multiple Sequence Alignments (MSAs) provide protein language models with explicit evolutionary context, but their large depth makes subsampling unavoidable under limited token budg…
physics.chem-ph2026
Learning to Dock: Geometric Deep Learning for Predicting Supramolecular Host-Guest Complexes
Zidi Wang, Tao Zhang, Muyao Yu +7
Predicting non-covalent host-guest recognition remains challenging due to the complex interplay of electrostatics, dispersion, and steric effects, and the limited transferability o…