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03/20/2023
FlexVDW: A machine learning approach to account for protein flexibility in ligand docking
Most widely used ligand docking methods assume a rigid protein structure...
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12/07/2020
ATOM3D: Tasks On Molecules in Three Dimensions
Computational methods that operate directly on three-dimensional molecul...
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11/27/2020
Protein model quality assessment using rotation-equivariant, hierarchical neural networks
Proteins are miniature machines whose function depends on their three-di...
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09/03/2020
Learning from Protein Structure with Geometric Vector Perceptrons
Learning on 3D structures of large biomolecules is emerging as a distinc...
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04/27/2018
Tiramisu: A Polyhedral Compiler for Expressing Fast and Portable Code
This paper introduces Tiramisu, a polyhedral framework designed to gener...
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04/27/2018
Tiramisu: A Code Optimization Framework for High Performance Systems
This paper introduces Tiramisu, an optimization framework designed to ge...
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02/28/2018
