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Molecular representation learning with language models and domain-relevant auxiliary tasks


Nov 26, 2020
Benedek Fabian, Thomas Edlich, Héléna Gaspar, Marwin Segler, Joshua Meyers, Marco Fiscato, Mohamed Ahmed

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GuacaMol: Benchmarking Models for De Novo Molecular Design


Nov 22, 2018
Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher

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* 30 pages, 2 figures 

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