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Theoretical and Computational Chemistry

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Wibe de Jong

2 results in Authors: Wibe de Jong

Theoretical and Computational Chemistry

Equivariant Neural Networks Utilizing Molecular Clusters for Accurate Molecular Crystal Binding Energy Predictions

Ankur Gupta, Miko Stulajter, Yusuf Shaidu, Jeffrey Neaton, Wibe de Jong

Version 1 posted 01 December 2023

224

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1

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Theoretical and Computational Chemistry

ML4Chem: A Machine Learning Package for Chemistry and Materials Science

Muammar El Khatib, Wibe de Jong

Version 1 posted 09 March 2020

1,839

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1

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