Machine Learning Molecules | Gianni De Fabritiis
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Speaker:
Gianni De Fabritiis - https://twitter.com/gdefabritiis?ref_...
Twitter Prudencio: / tossouprudencio
Twitter Jonny: / hsu_jonny
Twitter datamol.io: / datamol_io
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Chapters:
00:00 - Intro
04:29 - Deep Learning Molecular Structures
09:02 - Generative Models of Structures
11:06 - LigDream: Variational Autoencoders
12:49 - Diffusion Models
14:58 - PlayMolecules: Acting on Drugs to Discover
18:17 - TorchMD: Machine Learning Chemistry
21:48 - TorchMD Deep Dive
28:45 - TorchMD-Net
36:16 - Machine Learning Proteins
42:47 - Conclusions
45:22 - Q+A