pHaseMD4AI: Phase-Space Dynamics Dataset with Chemical and pH Perturbations for Physically and Kinetically Consistent Biomolecular AI
Tiefeng Song, Yixin Guo, Jiahao He, Zheyi Liu, Minying Low, Keying Wang, Yutao Zhang, Z Y Li, Yandong Huang, Yong Wang
The paper introduces pHaseMD4AI, a molecular dynamics dataset with chemical and pH perturbations, to support biomolecular AI research and benchmarking.
bioRxiv · Jul 23, 2026 · PreprintBioinformatics