Re: [scikit-learn] Using Scikit-Learn to predict magnetism in chemical systems

2017-03-28 Thread Henrique C. S. Junior
@Tommaso, this is something like Internal Coordinates[1], right? @Bill, thanks for the hint, I'll definitely take a look at this. [1] - https://en.wikipedia.org/wiki/Z-matrix_(chemistry) On Tue, Mar 28, 2017 at 2:12 AM, Bill Ross wrote: > Image processing deals with xy coordinates by (as I unde

Re: [scikit-learn] Using Scikit-Learn to predict magnetism in chemical systems

2017-03-28 Thread Bill Ross
I think I saw it in the Deep Learning book: http://www.deeplearningbook.org/ Bill On 3/28/17 9:48 AM, Henrique C. S. Junior wrote: @Tommaso, this is something like Internal Coordinates[1], right? @Bill, thanks for the hint, I'll definitely take a look at this. [1] - https://en.wikipedia.org/wi

Re: [scikit-learn] Using Scikit-Learn to predict magnetism in chemical systems

2017-03-28 Thread Tommaso Costanzo
Dear Henrique, Yes, my previous representation looks like a Z-matrix format (BTW in scikit-learn you will need to have the same number of columns at every line, so you will need to fill somehow the first line). However, I will take this email as the opportunity to stress the fact that you do not h