@article{inversedesignof3dmolecularstructures, title = {Inverse design of 3d molecular structures with conditional generative neural networks}, author = {Niklas W. A. Gebauer and Michael Gastegger and Stefaan S. P. Hessmann and Klaus-Robert Müller and Kristof T. Schütt}, year = {2021}, eprint = {2109.04824}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2109.04824v2}, }