3 ms·
I like the idea, but I wouldn't call it "relative ease". Are we talking about making better force fields, or training a recurrent neural network for generative
by cing 10y ago
I like the idea, but I wouldn't call it "relative ease". Are we talking about making better force fields, or training a recurrent neural network for generative dynamics that obeys the laws of physics (can be used to calculate ensemble averages) for arbitrary length proteins/folds? How do you construct a VAE for protein dynamics when you only have a single structure? There's a serious lack of data that prevents these things.