TODO.md

1. Unification of isomolly/isosimple:

• implement dataloaders
• static (Flux.DataLoader)
  • batch
  • rng
  • subsampling
• stationary
• adaptive

2. Visualization of the validation loss

3. Find a way to compare performances between different architectures, optimizers and adaptive samplings.

• of special interest: how does adaptive sampling compare to ergodic samples on a low temp alanine-dipept.