AI RESEARCH
Manifold Diffusion for Structure Generation of Transition Metal Complexes
arXiv CS.LG
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ArXi:2606.00666v1 Announce Type: cross Transition metal complexes are central to catalysis, drug design, and materials science, with relevant properties strongly sensitive to their three-dimensional geometry. However, the electronic diversity and unconventional bonding environments of transition metal complexes pose a major challenge for accurate structure generation. In this work, we