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Differentiable Simulations for Enhanced Sampling of Rare Events

Differentiable Simulations for Enhanced Sampling of Rare Events

Valence Labs via YouTube Direct link

- Intro

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- Intro

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Differentiable Simulations for Enhanced Sampling of Rare Events

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  1. 1 - Intro
  2. 2 - Virtuous Cycle for Design
  3. 3 - Autodiff, Uncertainty, and ML Potentials
  4. 4 - Using Neural Network Potentials for Molecules
  5. 5 - Screening Photoswitchable Drugs
  6. 6 - Differentiable Uncertainty
  7. 7 - Beyond Forces
  8. 8 - Differentiable Simulations
  9. 9 - Issues and Tools Needed
  10. 10 - Q+A

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