My take would be, they are using AI to assemble the proteins and look at it in different ways... With a lot more accuracy than a human scientist could ever do. But, they will still need huge processing power to crunch the data. I don't think it will become obsolete, I think AI can more efficiently (with time) direct the path where higher chance of discovery.
AI isn't just ... directing folding but it is used for seti as well, in fact........ Some believe that we must create AI, so we can communicate with ET life, if we ever do wind up finding a signal. Also... All bets are off, when quantum computing comes on line. That's some scary arithmetic that is crazy fast. Tho, I believe that once we have a super fast quantum processor, AI will truly take off.
Will be pretty interesting in the next 5~10 years.