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Published 20 hours ago • verified publisher icon graphcore-research

Notebooks

Open awf opened this issue 1 year ago • 0 comments

This issue represents the list of notebooks we would like to produce

  • [x] Dataset generation from ICML 2023 workshop
  • [ ] nanoDFT: Minimal but fast DFT for teaching/experimentation
    • [x] initial release - a few small molecules
    • [ ] looking at spice dataset
    • [ ] Molecular dynamics
  • [ ] Graphene grids
    • [ ] Needs N=1000?
    • [ ] Needs electron-phonon coupling?
  • [ ] LK99?

awf avatar Sep 06 '23 09:09 awf