The rational design of Covalent Organic Frameworks (COFs) is currently constrained by the inability of classical algorithms to master the spatial reasoning required for reticular assembly. We introduce a semantic architecture that encodes the logic between discrete precursors and extended networks, effectively bridging the gap between molecular chemistry and material structure. By formally distinguishing assembly blueprints from crystalline realisations, this approach resolves fundamental data ambiguities to unlock the 'Deep Chemical Space'. We present algorithms that leverage these structural insights to systematically generate hypothetical, synthesizable frameworks, paving the way for explainable, high-throughput material discovery
Prof. Aleksandar Kodinski