14 citations · 21 across the 18 of their papers we have counts for
4 papers · 1 filter
ChemLabs on ChemO: A Multi-Agent System for Multimodal Reasoning on IChO 2025
Qiang Xu, Shengyuan Bai, Leqing Chen +2
Olympiad-level benchmarks in mathematics and physics are crucial testbeds for advanced AI reasoning, but chemistry, with its unique multimodal symbolic language, has remained an op…
From Static Structures to Ensembles: Studying and Harnessing Protein Structure Tokenization
Zijing Liu, Bin Feng, He Cao +1
Protein structure tokenization converts 3D structures into discrete or vectorized representations, enabling the integration of structural and sequence data. Despite many recent wor…
BioMD: All-atom Generative Model for Biomolecular Dynamics Simulation
Bin Feng, Jiying Zhang, Xinni Zhang +2
Molecular dynamics (MD) simulations are essential tools in computational chemistry and drug discovery, offering crucial insights into dynamic molecular behavior. However, their uti…
A Novel 4-D Dataset Paradigm for Studying Complete Ligand-Protein Dissociation Dynamics
Maodong Li, Jiying Zhang, Zhe Wang +7
The kinetics and dynamics of drug-protein binding and dissociation are crucial to understanding drug absorption and metabolism. Despite advances in artificial intelligence (AI) too…