Neural Message Passing for Quantum Chemistry. Gilmer, J., Schoenholz, S. S., Riley, P. F., Vinyals, O., & Dahl, G. E. In Proceedings of the 34th International Conference on Machine Learning (ICML), volume 70, pages 1263–1272, 2017.
bibtex   
@inproceedings{gilmer2017neural,
    author = {Gilmer, Justin and Schoenholz, Samuel S. and Riley, Patrick F. and Vinyals, Oriol and Dahl, George E.},
    title = {Neural Message Passing for Quantum Chemistry},
    year = {2017},
    booktitle = {Proceedings of the 34th International Conference on Machine Learning (ICML)},
	volume       = 70,
    pages = {1263–1272}
}

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