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Brooke E. Husic

Machine Learning Implicit Solvation for Molecular Dynamics

Jun 14, 2021
Yaoyi Chen, Andreas Krämer, Nicholas E. Charron, Brooke E. Husic, Cecilia Clementi, Frank Noé

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* 15 pages, 6 figures

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Variational Selection of Features for Molecular Kinetics

Nov 28, 2018
Martin K. Scherer, Brooke E. Husic, Moritz Hoffmann, Fabian Paul, Hao Wu, Frank Noé

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* 12 pages, 10 figures

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PotentialNet for Molecular Property Prediction

Oct 22, 2018
Evan N. Feinberg, Debnil Sur, Zhenqin Wu, Brooke E. Husic, Huanghao Mai, Yang Li, Saisai Sun, Jianyi Yang, Bharath Ramsundar, Vijay S. Pande

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* 13 pages, 5 figures, 8 tables

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Unsupervised learning of dynamical and molecular similarity using variance minimization

Dec 20, 2017
Brooke E. Husic, Vijay S. Pande

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* NIPS 2017 Workshop on Machine Learning for Molecules and Materials

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