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cs.LG2026
h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network
Yanru Qu, Yijie Zhang, Wenjuan Tan +6
Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions,…
cs.LG2025★ 2 cited
Improving Protein Sequence Design through Designability Preference Optimization
Fanglei Xue, Andrew Kubaney, Zhichun Guo +4
Protein sequence design methods have demonstrated strong performance in sequence generation for de novo protein design. However, as the training objective was sequence recovery, it…