Be as it may, I don't believe we can create those models manually, one by one. It's just too complicated and costly, and as this article shows, prone to turf politics. The good news is that we are having great advances in molecular simulation, and there are gargantuan investments coming to develop the world's computational capabilities. Furthermore, even the current crop of AI tools is good enough to locate and make information accessible to non-experts. So, if you are looking for a hobby in front of a computer, consider given these computational problems some attention.