8 citations · 39 across the 26 of their papers we have counts for
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cs.LG2026
Generative Retrieval for Reverse Target Fishing with a Proteome-Scale Benchmark
Zhichao Deng, Haichuan Tan, Xin Hong +4
Reverse target fishing identifies protein targets for a query molecule and is central to drug discovery and repurposing. Discriminative approaches adapted from virtual screening fa…
cs.LG2026
MolEvolve: LLM-Guided Evolutionary Search for Interpretable Molecular Optimization
Xiangsen Chen, Ruilong Wu, Yanyan Lan +2
Despite deep learning's success in chemistry, its impact is hindered by a lack of interpretability and an inability to resolve activity cliffs, where minor structural nuances trigg…
q-bio.BM2026
Cross-Chirality Generalization by Axial Vectors for Hetero-Chiral Protein-Peptide Interaction Design
Ziyi Yang, Zitong Tian, Yinjun Jia +7
D-peptide binders targeting L-proteins have promising therapeutic potential. Despite rapid advances in machine learning-based target-conditioned peptide design, generating D-peptid…