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Much of the recent work on learning molecular representations has been based on Graph Convolution Networks (GCN).
Convolutional networks on graphs for learning molecular fingerprints
Duvenaud, D. K., Maclaurin, D., Aguilera-Iparraguirre, J., Gómez-Bombarelli, R., Hirzel, T., Aspuru-Guzik, A., and Adams, R. P · 2015
Earlier work this paper cites.
Effective approaches to attention-based neural machine translation
Luong, M.-T., Pham, H., and Manning, C. D · 2015
Earlier work this paper cites.
Molecular graph convolutions: moving beyond fingerprints
Kearnes, S., McCloskey, K., Berndl, M., Pande, V., and Riley, P · 2016
Earlier work this paper cites.
Learning convolutional neural networks for graphs
Niepert, M., Ahmed, M., and Kutzkov, K · 2016
Earlier work this paper cites.
Neural message passing for quantum chemistry
Gilmer, J., Schoenholz, S. S., Riley, P. F., Vinyals, O., and Dahl, G. E · 2017
Earlier work this paper cites.
Predicting organic reaction outcomes with weisfeiler-lehman network
Jin, W., Coley, C. W., Barzilay, R., and Jaakkola, T. S · 2017
Cited alongside, same era.
Vaswani, A., Shazeer, N., Parmar, N., Uszkoreit, J., Jones, L., Gomez, A. N., Kaiser, L., and Polosukhin, I · 2017
Cited alongside, same era.
Veličković, P., Cucurull, G., Casanova, A., Romero, A., Lio, P., and Bengio, Y · 2017
Cited alongside, same era.
Adaptive edge features guided graph attention networks
Gong, L. and Cheng, Q · 2018
Cited alongside, same era.
Moleculenet: a benchmark for molecular machine learning
Wu, Z., Ramsundar, B., Feinberg, E. N., Gomes, J., Geniesse, C., Pappu, A. S., Leswing, K., and Pande, V · 2018
Later among the works it cites.
How powerful are graph neural networks?
Xu, K., Hu, W., Leskovec, J., and Jegelka, S · 2018
Later among the works it cites.
Gaan: Gated attention networks for learning on large and spatiotemporal graphs
Zhang, J., Shi, X., Xie, J., Ma, H., King, I., and Yeung, D · 2018
Later among the works it cites.
Graph transformer, 2019
Li, Y., Liang, X., Hu, Z., Chen, Y., and Xing, E. P · 2019
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Monti, F., Shchur, O., Bojchevski, A., Litany, O., Günnemann, S., and Bronstein, M. M · 2018
Cited alongside, same era.