Jules Leguy
3PUBLICATIONS
5CO-AUTHORS
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Publications (3)
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|Oct 03, 2021
Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization.Jules Leguy, Marta Glavatskikh, Thomas Cauchy
|Jan 12, 2021
EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation.Jules Leguy, Thomas Cauchy, Marta Glavatskikh
|Jan 12, 2021
Dataset's chemical diversity limits the generalizability of machine learning predictions.Marta Glavatskikh, Jules Leguy, Gilles Hunault
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