What Mish said. Also what Lesa said. I think ppl are too quickly given meds for something that is likely just her personality. Esp someone that intelligent and doing well in school.
I know LOTS of science-types who are social retards and are scared shitless when they first start giving talks. Or even decades later. But they learn to adapt & control themselves. WITHOUT drugs.
Still, for the OP, you shouldn't feel bad about breaking up if there isn't a good fit with you two. Just b/c someone is nice & intelligent doesn't necessarily make them a good partner for you. Or you for her, for that matter.