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I recently made charge densities available for the MOFs and coordination polymers of the Quantum MOF (QMOF) Database. Please read the GitHub page for details on how to access the charge densities. That being said, given the large size of the files, I wish you luck downloading it in bulk.


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Tensorflow and FireWorks are different kinds of software. The "workflow management" features of Tensorflow are primarily designed to manage running Tensorflow itself, while FireWorks and related tools are designed to manage running other software. Tensorflow is a library for machine learning. It can be used to develop, train and evaluate machine ...


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Basically, convex hull is a plot of formation energy with respect to the composition which connects phases that are lower in energy than any other phases or a linear combination of phases at that composition. Phases that lie on the convex hull are thermodynamically stable and the ones above it are either metastable or unstable. This plot can only give an ...


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