AI RESEARCH
EvoEGF-Mol: Evolving Exponential Geodesic Flow for Structure-based Drug Design
arXiv CS.LG
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ArXi:2601.22466v2 Announce Type: replace Structure-Based Drug Design (SBDD) aims to discover bioactive ligands. Conventional approaches construct probability paths separately in Euclidean and probabilistic spaces for continuous atomic coordinates and discrete chemical categories, leading to a mismatch with the underlying statistical manifolds.