CSLVAEs are comprised of a probabilistic encoder q ψ (z|x) and decoder p θ (x|z, D), where z ∈ Z ⊆ R d is a latent code and Z is the latent space. Importantly, the architecture of the decoder guarantees that supp(p θ ) ⊆ X D by construction, i.e., that only compounds in X D are reachable via the decoder.