Yes, our current best-performing model across all 3 tasks is DimeNet++; we’ll update the dataset paper with DimeNet++ results shortly.
ForceNet and DimeNet++ have similar performance on S2EF, but ForceNet is significantly faster since it doesn’t predict forces via gradients.
Good idea; we’ll add a mention somewhere. The dev and many other branches are mainly for one-off experiments, and not all of it is actively supported from the master branch. But yeah, hoping to broaden the supported functionality over time.
The leaderboard should be up soon! We’re at the final testing / debugging stage before we publish it.