This past week, I completed a research assessment and made significant progress on my final product. We also had an etiquette lunch at 5th Street Café in downtown Frisco, which was a great place to eat at. For my assessment, I looked at specific modifications that chemists make to tweak lead compounds and create analogs in drug discovery. My previous research provided me with a big picture of the entire process, but for my final product, I needed to understand how specific changes are made. The text I found helped me understand how one can add or remove certain functional groups or benzene rings to modify solubility and flexibility, which should be very helpful for my work.
I also managed to upload the XYMOL package from the first semester to a new repository, conda-forge, over the weekend. This was a significant part of my final product, and it ended up taking considerably less time than my mentor or I expected. The automated tool Grayskull was helpful, but at first, it was difficult to understand what was causing the CI builds to fail. After asking on the conda-forge Gitter, I found out that the problem lay in differences in the rdkit distribution on PyPI and Anaconda. I figured out how to alter the recipe, and my pull request was merged on Saturday without further issue, which made me very happy. I also closed the related issue on the XYMOL GitHub repository. I still feel a little uncomfortable pushing commits and commenting on issues because of how jargon-filled and public it is, but the practice is helping.
This week, I need to really work on my original work speech, even with Orchestra UIL conflicting and the math competition weighing on me. Still, I look forward to presenting, and I hope I can make it engaging for my audience.
Comentarios