An open-source Python Library for materials structural search
PyChemia PyChemia is an open-source Python Library for materials structural search. The purpose of the initiative is to create a method agnostic framework for materials discovery and design using a variety of methods from Minima Hoping to Soft-computing based methods. PyChemia is also a library for data-mining, using several methods to discover interesting candidates among the materials already processed. The core of the library is the Structure python class, it is able to describe periodic and non-periodic structures. As the […]
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