AI in drug discovery is moving past one-shot predictions toward autonomous agents that plan experiments, write their own analysis code, call docking and QM tools, and critique their results. Here's what the shift means, the design patterns behind it, and five open-source agents worth examining - with an honest look at the caveats.
May 19, 2025
A pipeline I never wrote a line of worked flawlessly on the first try, and it left me with impostor syndrome. Here is why relying on AI agents is not cheating, but a permanent shift in what scientific expertise actually means.
Apr 23, 2025
Step-by-step guide to constructing an open-source drug discovery pipeline with AI and chemistry tools, from data to visualization.
Oct 1, 2023