whitead / dmol-book

Deep learning for molecules and materials book
https://dmol.pub
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[WIP] Equivariant NN feedback #94

Closed kjappelbaum closed 3 years ago

kjappelbaum commented 3 years ago

and i think, as you said, it needs some rewriting to reflect the new results, e.g., with Nequip.

Also, it might be worthwhile to try to look a bit into the similarities of what those Euclidean neural networks and Ceriotti et al. are learning. In the end, they both do some Clebsch-Gordan manipulations and it might be worth looking deeper into the similarities / dissimilarities

whitead commented 3 years ago

Addressed for now in 5bff3a9 - will re open if there is additional feedback