SorbNet is a free, open-source deep neural network for the prediction of adsorption data for binary mixtures over large temperature and pressure ranges that can be used to optimize adsorption/desorption conditions. Example datasets and Python notebooks are provided.
Y. Sun, R. F. DeJaco, J. I. Siepmann, Deep Neural Network Learning of Complex Binary Sorption Equilibria from Molecular Simulation Data, Chem. Sci. 2019, 10, 4377–4388