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- Equivariant GNNs
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Classroom Contents
Converging Advances to Accelerate Molecular Simulation
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- 1 - Intro
- 2 - AI4Science & Overview
- 3 - Equivariant GNNs
- 4 - Symmetries & Equivariance
- 5 - AI4Science: A Multi-Scale Scientific World
- 6 - Partial Differential Equations PDEs
- 7 - Molecules
- 8 - Simulating Molecules
- 9 - Diffusion-Based Generative Models
- 10 - Conditional Equivariant Generation
- 11 - Generating Molecules and Materials
- 12 - Concluding Remarks
- 13 - Q+A
