dmol-book

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Equivariant NN Review

9

https://arxiv.org/pdf/2205.06643.pdf

whitead

- [ ] Update references - [ ] Fixed notation at bottom of bijector chapter - [ ] Training - can fit dist or examples

whitead

- [ ] Tensors (tensor chapter). Illustration - [ ] Regression Assessment flow chart/table. Code - [ ] Kernel learning picture. Illustration - [ ] Plots of activation functions. Code...

whitead

https://github.com/executablebooks/jupyter-book/releases/tag/v0.13

whitead

Scaffold Split

2

Probably add to regression chapter. Also, rename chapter

whitead

Exercises

2

End of lesson exercises and in-text questions! - [ ] Standard Layers - [x] GNN - [ ] Data - [x] Equiv - [x] XAI - [ ] NLP -...

whitead

https://github.com/awf/functional-transformer

whitead

i think there's no reason to re-invent the wheel. The Persson group did something nice, there is this new checklist in Nat Chem and I have a private draft that...

kjappelbaum

New Chapter: Uncertainty

5

Bayesian, Deep ensembling, Calibration, dropout, flows?

whitead

Applied Chapters Improvements

1

Add more background information, especially about kernel learning (maybe use that as baseilne).

whitead