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Derek P. Metcalf
ORCID
Publication Activity (10 Years)
Years Active: 2021-2024
Publications (10 Years): 2
Top Topics
Competitive Learning
Fixed Point
Free Energy
Modular Neural Network
Top Venues
J. Chem. Inf. Model.
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Publications
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Derek P. Metcalf
,
Zachary L. Glick
,
Andrea Bortolato
,
Andy Jiang
,
Daniel L. Cheney
,
C. David Sherrill
-Net): A Modular Neural Network Approach to Binding Free Energy Prediction.
J. Chem. Inf. Model.
64 (6) (2024)
Derek P. Metcalf
,
Andy Jiang
,
Steven A. Spronk
,
Daniel L. Cheney
,
C. David Sherrill
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge.
J. Chem. Inf. Model.
61 (1) (2021)