Rui Jiao

DrugTrail: Interpretable Drug Discovery via Structured Reasoning and Druggability‑Tailored Preference Optimization

HBDrug3D: A Dataset and Benchmark for AI-Driven Heterobifunctional Molecule Design

MOF-BFN: Metal-Organic Frameworks Structure Prediction via Bayesian Flow Networks

Learning 3D Anisotropic Noise Distributions Improves Molecular Force Fields

DenoiseVAE: Learning Molecule-Adaptive Noise Distributions for Denoising-based 3D Molecular Pre-training

UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design

Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints