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Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces

Oliver T. Unke, Markus Meuwly. Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces. Journal of Chemical Information and Computer Sciences, 57(8):1923-1931, August 2017. [doi]

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