Publications by authors named "Nicholas Terrel"

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TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPs.
Ignacio Pickering, Jinze Xue, Kate Huddleston, Nicholas Terrel, Adrian E Roitberg

J Chem Inf Model· November 2025

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LEGOLAS: A Machine Learning Method for Rapid and Accurate Predictions of Protein NMR Chemical Shifts.
Mikayla Y Darrows, Dimuthu Kodituwakku, Jinze Xue, Ignacio Pickering, Nicholas S Terrel

J Chem Theory Comput· April 2025

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