Molecule Manipulation Formulation. To leverage the steerability and interpretability of molecule generative models, we explore a new task, molecule manipulation, which interprets and steer the latent space of the generative model in order to manipulate the properties of the output molecule. To be specific, a deep generative model contains a generator g : Z → X , where Z ∈ R l stands for the l-dimensional latent space, which is commonly assumed to be Gaussian distribution . There exist property functions f P which define the property space P via P = f P (X). The input to molecule manipulation is a list of n molecules