Next, we tested the ability of our model to generate structures with user-desired properties (known as conditional generation). Extension of our model for inverse design was made by using a straightforward approach introduced by Hoogeboom et al . This method involves creating an additional input tensor that is composed of the target value and concatenating this with the zeolite grids tensor. The process of inverse design does not alter the behavior of the model, as it only introduces a change in the dimensionality of the input data. A detailed explanation on inverse design and conditional generation can be found in Supplementary section S4.