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Theoretical and Computational Chemistry

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molecular data science

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2 results in Keywords: molecular data science

Theoretical and Computational Chemistry

Giving Attention to Generative VAE Models for De Novo Molecular Design

Orion Dollar, Nisarg Joshi, David A. C. Beck, Jim Pfaendtner

Version 1 posted 08 February 2021

1,300

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Theoretical and Computational Chemistry

Yoked Learning in Molecular Data Science

Zhixiong Li, Yan Xiang, Yujing Wen, Daniel Reker

Version 1 posted 16 August 2023

277

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