Utilizing SciPy and other open source packages to provide a powerful API for materials manipulation in the Schrödinger Materials Suite

Alexandr Fonari, Farshad Fallah, Michael Rauch. Utilizing SciPy and other open source packages to provide a powerful API for materials manipulation in the Schrödinger Materials Suite. In Meghann Agarwal, Chris Calloway, Dillon Niederhut, David Shupe, editors, Proceedings of the 21st Python in Science Conference 2022, SciPy 2022, Austin, Texas, July 11 - July 17, 2022. pages 52-59, scipy.org, 2022. [doi]

Abstract

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