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cs.LG2026
Geometric Flow Matching for Molecular Conformation Generation via Manifold Decomposition
Yunqing Liu, Yi Zhou, Wenqi Fan
The generation of accurate 3D molecular conformations is a pivotal challenge in computational chemistry and drug discovery. Recently, diffusion and flow matching models have achiev…
cs.LG2025
GLProtein: Global-and-Local Structure Aware Protein Representation Learning
Yunqing Liu, Wenqi Fan, Xiaoyong Wei +1
Proteins are central to biological systems, participating as building blocks across all forms of life. Despite advancements in understanding protein functions through protein seque…