RuntimeWarning: overflow encountered in exp

[Natasha Pavlovikj]

Dear,

Thank you so much for adding the R9 chemistry in the trained data.

I did some test run, and I got the following warning: rnnf.py:5: RuntimeWarning: overflow encountered in exp return 1 / (1 + np.exp(-x)) After some searching, I found this post, https://stackoverflow.com/questions/26218617/runtimewarning-overflow-encountered-in-exp-in-computing-the-logistic-function. Then, I modified the "sigmoid" function as mentioned in the post, and I didn't encounter any further issues.

Also, it looks like the outputs with and without the warning are identical, so this change is not crucial for the results, but it might be nice to have "rnnf.py" updated.

Thank you, Natasha