I have finalized my report here:
I also submitted my final google form.
Since the semester has begun in earnest I haven't had much free time for FOSS work. I do have plans for the winter and other vacations. I thought I'd wrap up with some scattered thoughts on what the project was (from my running notes throughout the coding period which never made it into a full blog before).
- By offering Python bindings through pyseams, d-SEAMS is now accessible to a wider audience, including researchers who are more familiar with Python than C++ or Lua. This will potentially speed up the analysis of complex ice nucleation and solvated chemistry simulation and analysis.
- I found working with C++ to be quite challenging initially. Getting my head around its syntax and idiosyncrasies took some time, but it gave me a new appreciation for type safety and memory management.
The project is closely aligned with my academic focus on computational biology, and I would love to work on the scientific uses more.
It would be an honor to work on a GSoC project under the PSF next year as well. It has been a pleasure.