Generative ML for chemistry/materials, Webinar 2021-06-30

Описание: Recording of the webinar - Generative Machine Learning with Exabyte:

0:00 Introductory Remarks
1:44 Recap: Last Webinar's Bitterness Classifier
2:38 Molecule Discovery Pipelines
4:27 Molecules as Text: SMILES Strings
6:53 Text-Generations Approaches
9:48 Text Tokenization and Encoding
12:21 Markov Chains
15:40 Hidden Markov Models
18:13 Choosing the Number of Hidden States
19:40 Pipeline Checklist
20:11 Running Jupyter Lab on the Platform
22:44 Reading a Corpus of SMILES Strings
25:49 Enecoding with DeepChem
29:50 Hidden Markov Models with HMM-Learn
34:10 Putting it All Together: A Pipeline for Molecule Discovery
37:09 Demonstration of the Bitter Molecule Pipeline
38:44 Next Steps: Utilizing and Improving the Pipeline
40:35 Summary
41:37 Q&A


The PDF of the presentation with links is available here:
https://exabyte.docsend.com/view/wz94...