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Nick Terrel @NickTerrel

comp chemist | PhD Candidate at the University of Florida

Joined May 2024
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JCIM & JCTC Journals@JCIM_JCTC
9 Dec 2025
TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPs pubs.acs.org/doi/10.1021/acs… @NachoPickering @jinzexue @NickTerrel @adrian_roitberg #JCIM Vol65 Issue21 #MachineLearning #DeepLearning

TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPs

In this work, we introduce TorchANI 2.0, a significantly improved version of the free and open source TorchANI software package for training and evaluation of ANI (ANAKIN-ME) deep learning models....

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