Hierarchy-Guided Topology Latent Flow for Molecular Graph Generation

ArXi:2603.27113v1 Announce Type: new Generating chemically valid 3D molecules is hindered by discrete bond topology: small local bond errors can cause global failures (valence violations, disconnections, implausible rings), especially for drug-like molecules with long-range constraints. Many unconditional 3D generators emphasize coordinates and then infer bonds or rely on post-processing, leaving topology feasibility weakly controlled.