TMCgen uses manifold diffusion focused on coordination angles and ligand movements to generate accurate transition metal complex geometries with few inference steps on experimental bioinorganic and organometallic data.
& Garc´ ıa-Melchor, M
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Manifold Diffusion for Structure Generation of Transition Metal Complexes
TMCgen uses manifold diffusion focused on coordination angles and ligand movements to generate accurate transition metal complex geometries with few inference steps on experimental bioinorganic and organometallic data.