WMD-group/SMACT

How to use Smact to detect invalid covalent compounds?

usccolumbia opened this issue · 1 comments

Covalent compounds are formed by non-metal elements. but Not all non-metal element compositions are valid covalent comounds.
Is there any rules to declare a compound is NOT covalent compound for sure?

Closing this issue as it is connected to #57. It is beyond current SMACT functionality but custom chemical filters are of course possible