Supplemental materials for: “Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti accepted in PNAS * training-set: The training set for machine-learning potentials. Two input formats. * NN-potential: Parameters for the NN potential. Instructions and examples for running MD using this potential. * input-files: All the other input files for free energy estimations used in the paper.