EdGr jointly predicts inter-fragment bonds and atomic positions via coupled diffusion, outperforming prior methods on molecule assembly.
Chaudhri, Naren Chittar, and Michael Genesereth
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A Graph Completion Method that Jointly Predicts Geometry and Topology Enables Effective Molecule Assembly
EdGr jointly predicts inter-fragment bonds and atomic positions via coupled diffusion, outperforming prior methods on molecule assembly.