Juan Viguera Diez

Doctoral Student at Data Science and AI

Source: chalmers.se
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Showing 3 publications

2024

Generation of conformational ensembles of small molecules via surrogate model-assisted molecular dynamics

Juan Viguera Diez, Sara Romeo Atance, Ola Engkvist et al
Machine Learning: Science and Technology. Vol. 5 (2)
Journal article
2022

De Novo Drug Design Using Reinforcement Learning with Graph- Based Deep Generative Models

Sara Romeo Atance, Juan Viguera Diez, Ola Engkvist et al
Journal of Chemical Information and Modeling. Vol. 62 (20), p. 4863-4872
Journal article

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