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cs.LG2026
BiScale-GTR: Fragment-Aware Graph Transformers for Multi-Scale Molecular Representation Learning
Yi Yang, Ovidiu Daescu
Fragment-level representations provide a natural way to capture recurring molecular substructures and reuse their learned representations across molecules. However, a shared fragme…
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…