Josh Fass | DeepAI

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Featured Co-authors

John D. Chodera
8 publications
Yuanqing Wang
7 publications
Kun Luo
3 publications
Michael R. Shirts
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Chaya D. Stern
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John Chodera
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Owen C. Madin
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Simon Boothroyd
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Richard A. Messerly
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research

∙ 05/14/2021

Bayesian inference-driven model parameterization and model selection for 2CLJQ fluid models

A high level of physical detail in a molecular model improves its abilit...

0 Owen C. Madin, et al. ∙

research

∙ 10/02/2020

End-to-End Differentiable Molecular Mechanics Force Field Construction

Molecular mechanics (MM) potentials have long been a workhorse of comput...

0 Yuanqing Wang, et al. ∙

research

∙ 09/17/2019

Graph Nets for Partial Charge Prediction

Atomic partial charges are crucial parameters for Molecular Dynamics (MD...

0 Yuanqing Wang, et al. ∙