PorousKG

PorousKG is a knowledge graph of porous materials centered on metal–organic frameworks (MOFs) and extended to covalent organic frameworks (COFs), hydrogen-bonded organic frameworks (HOFs), and cage-like materials. It structurally organizes information on material composition (metals/ligands), topologies, synthesis methods (solvents and conditions), physical/chemical/adsorption/electronic properties, stabilities (water/thermal/pH/solvent), and application scenarios. It also integrates high-throughput DFT results from the QMOF database along with experimental data from the literature, enabling standardized structural representations and enriched computational properties. This knowledge graph provides essential prior knowledge for materials-intelligence agents, supporting reliable materials design, property prediction, and failure attribution analysis.