Latest MLIPs Make Nanosecond Quantum-Accuracy Protein Simulation 'Fairly Trivial'
TimothyDuignan · x · 2026-10-27
TimothyDuignan argues that simulation will follow the protein-structure pattern: little visible progress until a sudden, complete solve like AlphaFold. He notes that simulating proteins at high-level quantum chemical accuracy for nanoseconds is now "fairly trivial" — the latest generation of machine learning interatomic potentials (MLIPs) has solved this problem — and predicts many more simulation problems will be solved in the same abrupt fashion.
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