Adam Moyer

I have been using the ωB97X parameters. Would love it if you shared/pushed the true fitted parameters for ANI-2x! I brought this up a few years ago now, but it...

Im not aware of the package on PyPi. I added a simple setup.py script in the open pull request #3. If you clone this repo and add the two files...

Hi, Recently, I have been developing a custom loss function that does take into account all points, which I was planning to generalize to the LearnerND. However, I recently realized...

That would be very cool. Yes I imagine that internally converting all numpy data into the `S*` datatype so that it would be compatible with the C++ `std::array` datatype would...

Definitely possible. Are you familiar if the binary files that the hashmap saves will be valid after the update? That is my only concern.