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- TorchMD-Net
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Classroom Contents
Machine Learning for Molecular Structures and Drug Discovery
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- 1 - Intro
- 2 - Deep Learning Molecular Structures
- 3 - Generative Models of Structures
- 4 - LigDream: Variational Autoencoders
- 5 - Diffusion Models
- 6 - PlayMolecules: Acting on Drugs to Discover
- 7 - TorchMD: Machine Learning Chemistry
- 8 - TorchMD Deep Dive
- 9 - TorchMD-Net
- 10 - Machine Learning Proteins
- 11 - Conclusions
- 12 - Q+A
