The IPs approach aims to cover the structural diversity of the MOF database, ensuring that the GP model is anchored across all major regions of property space. As illustrated in the principal component (PC) projection (Figure , top panel), the 3296 MOFs chosen by IPs (plotted in red) are widely scattered throughout the manifold extending from the dense central cluster around 𝑃𝐶1 ≈ 0 to more outlying pockets where 𝑃𝐶1 reaches values of 15 or above.