3 citations · 4 across the 5 of their papers we have counts for
10 papers
ProtoCycle: Reflective Tool-Augmented Planning for Text-Guided Protein Design
Yutang Ge, Guojiang Zhao, Sihang Li +7
Designing proteins that satisfy natural language functional requirements is a central goal in protein engineering. A straightforward baseline is to fine-tune generic instruction-tu…
Scaffold-Conditioned Preference Triplets for Controllable Molecular Optimization with Large Language Models
Yi Xiong, Liang Xiong, Xiaohong Ji +4
Molecular property optimization is central to drug discovery, yet many deep learning methods rely on black-box scoring and offer limited control over scaffold preservation, often p…
On the Design of One-step Diffusion via Shortcutting Flow Paths
Haitao Lin, Peiyan Hu, Minsi Ren +5
Recent advances in few-step diffusion models have demonstrated their efficiency and effectiveness by shortcutting the probabilistic paths of diffusion models, especially in trainin…
Masked-and-Reordered Self-Supervision for Reinforcement Learning from Verifiable Rewards
Zhen Wang, Zhifeng Gao, Guolin Ke
Test-time scaling has been shown to substantially improve large language models' (LLMs) mathematical reasoning. However, for a large portion of mathematical corpora, especially the…
NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization
Yongqi Jin, Jun-Jie Wang, Fanjie Xu +6
Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful and widely used tools for molecular structure elucidation in organic chemistry. However, the interpretatio…
Uni-Mol3: A Multi-Molecular Foundation Model for Advancing Organic Reaction Modeling
Lirong Wu, Junjie Wang, Zhifeng Gao +6
Organic reaction, the foundation of modern chemical industry, is crucial for new material development and drug discovery. However, deciphering reaction mechanisms and modeling mult…