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NIH AI Workshop1a: Creating Machine Learning (ML) models for functional classification for small-molecules

Primary LanguageJupyter Notebook

NIH AI Workshop1a: Machine Learning for Predicting Drug Function Using Molecular Structures

S.Ravichandran

Click Binder link below to begin the tutorial.

Please note that binder server setup on the cloud will take < 3 minutes at most. You will first see a Binder page with some log messages. After the setup, you will see an instance of Jupyer notebook in your browser. Click the Jupyter notebook, ML-UsingSmallMoleculeData.ipynb, to begin the tutorial.

Please note that we were not sucessful to make Binder work with Safari on Mac OS, instead use Chrome browser. If you are on Windows, please also use Chrome.

Binder