To be fair, the Pande Lab's data has involved a degree of human intervention during the generation of the multi-state trajectories upon which they're based. An

To be fair, the Pande Lab's data has involved a degree of human intervention during the generation of the multi-state trajectories upon which they're based. And that's a failing that has only recently been addressed. IMO it's indeterminate whether that human intervention could have unwittingly influenced those trajectories. Similarly, a lot of the folded proteins were used to develop the same force fields now used to simulate their folding. I'm not dismissing this data, but I am saying I think the jury is still out on the models until we have a true test set/training set dichotomy, a separation that was an absolute revelation for ab initio structure prediction algorithms in the 1990s. That said, I think we both agree that undersampling is the biggest offender. And it only gets worse with results published for larger systems simulated at the same timescale as much smaller ones.