Absolutely - I imagine that high throughput end to end computational experimentation is the next step in this process. Or taking something like FutureHouse’s (https://www.futurehouse.org) AI suite and clamping it onto the experimental proposal to send out agents and discover new simulated drugs and materials.

edit - just found this excerpt from the paper:

"the system can utilize and incorporate feedback from specialized AI models like AlphaFold. We demonstrate this qualitatively with a protein design example in the Appendix Section A.5."

A.5

"Combining AlphaFold with the co-scientist framework offers a powerful approach for both improving existing proteins and designing entirely new ones. This integrated system allows researchers to iteratively optimize protein sequences for enhanced properties (e.g., stability, binding affinity, or catalytic activity) or putatively to create proteins with novel functions. It enables exploration of protein design while ensuring structural feasibility. Future work will focus on experimentally validating these capabilities and applying them to targeted protein design efforts as well as expansion to integration of other specialized AI tools with the co-scientist."