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qcalc
qcalc PublicAssignment of partial charges to atoms in molecules based on their hardness and electronegativity
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polyHack2021_SBB
polyHack2021_SBB PublicForked from RiesBen/polyHack2021_SBB
Here are our results for the SBB challenge on polyHack2021, which made the 3rd Price in the contest! Convenient traveling with SBB to your outdoor activity of choice? Use this tool to get the best …
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