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kienerj / pycdxml

Tools to automatically convert and proccess cdx and cdxml files in python
GNU General Public License v3.0
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Fix #20 #21

Closed baoilleach closed 1 year ago

baoilleach commented 1 year ago

Set the number of implicit Hs to the total of RDKit's two types of implicit Hs (those that are implicit implicit and explicit implicit).