Python binders

This repository contains some Python binders for teaching.

Test

• Simple notebook for testing that Binder works

Machine learning in chemistry

• Prediction of melting point of organic molecules by linear regression: view/read or run in your browser
• Classification of molecules by aqueous solubility: view/read or run in your browser
• Similarity of molecules in a dataset: view/read or run in your browser
• Predicting 13C NMR shifts of organic molecules: view/read or run in your browser