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Metcalf, Derek P.
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Search Results - Metcalf, Derek P.
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Metcalf, Derek P.
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AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials
by
Glick, Zachary L.
,
Metcalf, Derek P.
,
Koutsoukas, Alexios
,
Spronk, Steven A.
,
Cheney, Daniel L.
,
Sherrill, C. David
Published in
The Journal of chemical physics
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Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge
by
Metcalf, Derek P
,
Jiang, Andy
,
Spronk, Steven A
,
Cheney, Daniel L
,
Sherrill, C. David
Published in
Journal of chemical information and modeling
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Directional ΔG Neural Network (DrΔG‑Net): A Modular Neural Network Approach to Binding Free Energy Prediction
by
Metcalf, Derek P.
,
Glick, Zachary L.
,
Bortolato, Andrea
,
Jiang, Andy
,
Cheney, Daniel L.
,
Sherrill, C. David
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Journal of chemical information and modeling
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Approaches for machine learning intermolecular interaction energies and application to energy components from symmetry adapted perturbation theory
by
Metcalf, Derek P.
,
Koutsoukas, Alexios
,
Spronk, Steven A.
,
Claus, Brian L.
,
Loughney, Deborah A.
,
Johnson, Stephen R.
,
Cheney, Daniel L.
,
Sherrill, C. David
Published in
The Journal of chemical physics
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American Institute Of Physics:jisc Collections:transitional Journals Agreement 2021-23 (Reading List)
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