4. A comparison between BOB/BAT/BATTY and ANI is also one-sided. BOB models are just molecular scorers, they just give you a number. In contrast, ANI and force fields are true automatic potentials with forces and analytic hessian. We can do geometry minimization, MD, etc.
This is not quite correct. While BoB, BATTY, etc. were designed to solely produce a molecular energy, it is, in principal, possible to perform optimizations. We are currently working on a new work, providing comparisons of different ML methods on the optimization task. Again, that is beyond the scope of this present work.