Fig. 13

The process of predicting guest accessibility for new MOFs. To predict pore size for MOFs not present in MOFGalaxyNet, the adjacency matrix must be updated by adding the new MOFs to the graph. Relevant MOF information with the same data structure as training data must be extracted and vectorized for similarity measurement prior to updating the matrix. The GCN model is then fed with the updated matrix and new MOFs to make predictions about PLD size