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Zitong Tian

2 accepted papers

2026

Cross-Chirality Generalization by Axial Vectors for Hetero-Chiral Protein-Peptide Interaction Design

ICML 2026poster

D-peptide binders targeting L-proteins have promising therapeutic potential. Despite rapid advances in machine learning-based target-conditioned peptide design, generating D-peptide binders remains largely unexplored. In this work, we show that by injecting axial features to E(3)-equivariant (polar)…

Cited by 0SourceScholar
2025

Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space

NeurIPS 2025poster

Medicinal chemists often optimize drugs considering their 3D structures and designing structurally distinct molecules that retain key features, such as shapes, pharmacophores, or chemical properties. Previous deep learning approaches address this through supervised tasks like molecule inpainting or…

Cited by 0SourceScholar