Gustavo Malkomes | DeepAI

DeepAI

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Featured Co-authors

Alán Aspuru-Guzik
54 publications
Benjamin Moseley
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Roman Garnett
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Mariano Phielipp
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Santiago Miret
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Shali Jiang
5 publications
Trevor J. Larsen
1 publication
Dennis L. Barbour
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Austin Cheng
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Andy Cai
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research

∙ 11/23/2022

Group SELFIES: A Robust Fragment-Based Molecular String Representation

We introduce Group SELFIES, a molecular string representation that lever...

0 Austin Cheng, et al. ∙

research

∙ 02/04/2020

Accelerating Psychometric Screening Tests With Bayesian Active Differential Selection

Classical methods for psychometric function estimation either require ex...

0 Trevor J. Larsen, et al. ∙

research

∙ 11/21/2018

Efficient nonmyopic active search with applications in drug and materials discovery

Active search is a learning paradigm for actively identifying as many me...

0 Shali Jiang, et al. ∙