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physics.comp-ph2019
The Materials Simulation Toolkit for Machine Learning (MAST-ML): an automated open source toolkit to accelerate data-driven materials research
Ryan Jacobs, Tam Mayeshiba, Ben Afflerbach +5
As data science and machine learning methods are taking on an increasingly important role in the materials research community, there is a need for the development of machine learni…
physics.comp-ph2019★ 10 cited
StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies
Jason J. Maldonis, Zhongnan Xu, Zhewen Song +4
StructOpt, an open-source structure optimization suite, applies genetic algorithm and particle swarm methods to obtain atomic structures that minimize an objective function. The ob…