The af2rave package is a suite of Python codes published with an MIT license made publicly available at . It is a multitool package designed to be used either in whole or in part. The complete pipeline can not only generate important conformations, but it also provides several useful byproducts, such as a mechanistically meaningful latent space to project structures into a two-dimensional space, making it potentially useful for enhanced sampling. In the result section, we will focus on the ensemble generation and sampling, and the properties of the latent space will be discussed in detail in the Supplementary Information.