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MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields

MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields

Valence Labs via YouTube Direct link

- Intro

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- Intro

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MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields

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  1. 1 - Intro
  2. 2 - Representations of clouds of particles in interaction
  3. 3 - The case of O93 for chemistry
  4. 4 - MACE: Message expansion
  5. 5 - Efficient machine learning on point clouds
  6. 6 : MACE results
  7. 7 - Q+A and Discussion

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