28 citations · 37 across the 6 of their papers we have counts for
6 papers
Multi-Alignment Contrastive Learning for Enzyme--Reaction Retrieval
Gengmo Zhou, Feng Yu, Wenda Wang +4
Identifying enzymes that catalyze target biochemical reactions is a key step in computational enzyme discovery and biocatalyst design. Recent representation-learning methods formul…
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…
A high-accuracy multi-model mixing retrosynthetic method
Shang Xiang, Lin Yao, Zhen Wang +4
The field of computer-aided synthesis planning (CASP) has seen rapid advancements in recent years, achieving significant progress across various algorithmic benchmarks. However, ch…
S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
Gengmo Zhou, Zhen Wang, Feng Yu +3
Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-ba…
Uni-Mol2: Exploring Molecular Pretraining Model at Scale
Xiaohong Ji, Zhen Wang, Zhifeng Gao +4
In recent years, pretraining models have made significant advancements in the fields of natural language processing (NLP), computer vision (CV), and life sciences. The significant…
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis
Lin Yao, Wentao Guo, Zhen Wang +3
Single-step retrosynthesis (SSR) in organic chemistry is increasingly benefiting from deep learning (DL) techniques in computer-aided synthesis design. While template-free DL model…