3 citations · 3 across the 2 of their papers we have counts for
3 papers
cs.LG2025
Generative molecule evolution using 3D pharmacophore for efficient Structure-Based Drug Design
Yi He, Ailun Wang, Zhi Wang +3
Recent advances in generative models, particularly diffusion and auto-regressive models, have revolutionized fields like computer vision and natural language processing. However, t…
cond-mat.mtrl-sci2025
A Unified Predictive and Generative Solution for Liquid Electrolyte Formulation
Zhenze Yang, Yifan Wu, Xu Han +10
Liquid electrolytes are critical components of next-generation energy storage systems, enabling fast ion transport, minimizing interfacial resistance, and ensuring electrochemical…
physics.comp-ph2024★ 3 cited
OpenMM-Python-Force: Deploying Accelerated Python Modules in Molecular Dynamics Simulation
Zhi Wang, Wen Yan
We present OpenMM-Python-Force, a plugin designed to extend OpenMM's functionality by enabling integration of energy and force calculations from external Python programs via a call…