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Comment by jamestimmins

Can anyone give an ELI5 for what the limitation is in terms of processing these computationally? Is the challenge that it's difficult to model how a molecule will interact with another molecule, so you have to do it with atoms and test the interaction across every other molecule in the search space?

For context I got a B- in high school chemistry and haven't looked back.

*Edit: "do it with atoms" is confusing in this context. I mean do it in the real world outside of bits.

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