PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials

Yunqi Shao, Matti Hellström, Pavlin D. Mitev, Lisanne Knijff, Chao Zhang. PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials. Journal of Chemical Information and Computer Sciences, 60(3):1184-1193, 2020. [doi]

Abstract

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