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kjappelbaum / element-coder

Encode chemical elements numerically and decode numerical representations of elements.
https://element-coder.readthedocs.io/en/latest/?badge=latest
MIT License
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implement `get_range` #8

Closed kjappelbaum closed 2 years ago

kjappelbaum commented 2 years ago

for https://github.com/sparks-baird/xtal2png/issues/80

sgbaird commented 2 years ago

I interpreted this as "encode the elements and then take the min and max as lower and upper bounds, respectively." Is that correct?

kjappelbaum commented 2 years ago

yea, it would follow the way matminer does it: Look at a bunch of structures, extract the elements you have in there, and then for the selected element encoding return the range.