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Python (Tensorflow + Keras + Tensorflow Probability & Theano + Lasagne + PyMC3) & MATLAB Toolbox for Machine Learning-Based Potential Energy Surfaces (PESs)

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Name		Name	Last commit message	Last commit date
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ArrheniusStochFitting		ArrheniusStochFitting
PESConstruction		PESConstruction
README.md		README.md

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Spebus

Python (Tensorflow + Keras + Tensorflow Probability & Theano + Lasagne + PyMC3) & MATLAB Code for NN-Based Potential Energy Surfaces (PESs)

Instructions and User's Manual are in Preparation

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Python (Tensorflow + Keras + Tensorflow Probability & Theano + Lasagne + PyMC3) & MATLAB Toolbox for Machine Learning-Based Potential Energy Surfaces (PESs)

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