Items where Author is "Aspuru-Guzik, Alan"

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Flam-Shepherd, Daniel and Wu, Tony C and Aspuru-Guzik, Alan (2021) MPGVAE: improved generation of small organic molecules using message passing neural nets. Machine Learning: Science and Technology, 2 (4). 045010. ISSN 2632-2153

Flam-Shepherd, Daniel and Wu, Tony C and Friederich, Pascal and Aspuru-Guzik, Alan (2021) Neural message passing on high order paths. Machine Learning: Science and Technology, 2 (4). 045009. ISSN 2632-2153

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