The AlphaFold Data Problem: Quantum Chemistry Models as Training Data for Larger Scales
TimothyDuignan · x · 2026-10-28
A substantive AI-for-Science debate. The skeptic notes AlphaFold rested on 50 years of government-funded data on one specific thing costing $20-30B — how could the same be done for all of chemistry and biology in a few years? Reply from TimothyDuignan offers a technical path: they already build models simulating vast amounts of chemistry accurately at nanometer/second scale using quantum chemistry as training data; next step is using those models to build datasets for training coarse-grained models to access larger scales.
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