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A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems

A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems

Valence Labs via YouTube Direct link

- Modelling Pipeline

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- Modelling Pipeline

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A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems

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  1. 1 - Intro + Background
  2. 2 - Geometric GNNs
  3. 3 - Modelling Pipeline
  4. 4 - Invariant Geometric GNNs
  5. 5 - Equivariant GNNs
  6. 6 - Other Geometric "Types"
  7. 7 - Unconstrained GNNs
  8. 8 - Future Directions
  9. 9 - Q+A

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