Wen Yan

1. Data-driven parametrization of molecular mechanics force fields for expansive chemical space coverage
   2024/12/30 by Tianze Zheng, Ailun Wang, Xu Han +9 · 1 voice · 3 citations
   Materials Science · Biochemistry, Genetics and Molecular Biology · Computer Science · #Machine Learning in Materials Science #Protein Structure and Dynamics #Computational Drug Discovery Methods
2. Data-Driven Parametrization of Molecular Mechanics Force Fields for Expansive Chemical Space Coverage
   2024/08/23 by Tianze Zheng, Zheng, Tianze, Ailun Wang +21 · 3 citations
   Chemical Engineering · Chemistry · Materials Science · #Advanced Polymer Synthesis and Characterization #Catalysis and Oxidation Reactions #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science
3. OpenMM-Python-Force: Deploying Accelerated Python Modules in Molecular Dynamics Simulation
   2024/12/24 by Zhi Wang, Wang, Zhi, Wen Yan +1 · 1 citation
   Materials Science · Chemistry · #Machine Learning in Materials Science #Advanced Physical and Chemical Molecular Interactions
4. Causal-Adversarial Probing of Clinical Covariates for Prostate MRI Grading
   2026/07/16 by Yipei Wang, Shiqi Huang, Wen Yan +6
   #cs.CV