Of course you need to develop domain knowledge. But there's tremendous opportunity lying in these libraries, you just have to spend the time looking for it.
Regarding the last point: try applying libraries like Quantum espresso [1] or CP2K [2] to real world problems and apply machine learning with the solutions they provide to a given problem. There's a tremendous amount of academic research being done in this direction but try and take these libraries and make them useful for real world applications.
> It certainly definitely contributed to Germany losing the war
There were no jewish nazi scientists in significant numbers after Wannsee? Like, what do you learn in school?