Graph Neural Networks for Chemistry - Day 1

Graph Neural Networks for Chemistry - Day 1

Valence Labs via YouTube Direct link

Pretraining

10 of 14

10 of 14

Pretraining

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Classroom Contents

Graph Neural Networks for Chemistry - Day 1

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  1. 1 Introduction
  2. 2 Overview
  3. 3 Graph Anatomy
  4. 4 What is a molecule
  5. 5 Atoms and bonds
  6. 6 Molecular property prediction
  7. 7 Designing a GNN
  8. 8 WL Expressivity
  9. 9 Attention
  10. 10 Pretraining
  11. 11 Data Sets
  12. 12 Scaling
  13. 13 Multimodality
  14. 14 Questions

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