rmcgibbo/mixtape — pull request #125 by kyleabeauchamp (2014-04-29 17:10:27+00:00)
Title: Added exponent to atompairs

So there's a pretty strong physical argument that using inverse distances (or contacts) will be better features. I'm testing this in some current notes, but we might as well have the ability to do this.

PS: if this becomes rate limiting in the future, we can use `numexpr` to speed up the power calculations...