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Washington University in St. Louis
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Coordinates-of-intermediates-and-transtion-states
Coordinates-of-intermediates-and-transtion-states Public -
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deftpy
deftpy PublicForked from wexlergroup/deftpy
Forked to prepare a working version of DeftPy. Planning to improve the oxidation state guess for metal oxides with multiple metal oxidation states. Also, working on the coordination number of vacan…
Python
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