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1. CP2K_Editor CP2K_Editor Public

   CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input file used in CP2K.

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2. Com_chem Com_chem Public

   Short scripts for computational chemistry calculations

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3. CatLearn CatLearn Public

   Forked from SUNCAT-Center/CatLearn

   A machine learning environment for atomic-scale modeling in surface science and catalysis.

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4. hpfitter hpfitter Public

   A wrapper for the ObjectiveFuction class and HyperparameterFitter have been made, so the same optimizers and objective functions can be used for the gaussianprocess and the GP-atom.

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