Machine Learning Basics

Jan H. Jensen

Department of Chemistry

University of Copenhagen

Artificial intelligence is an ill-defined term and most researchers prefer the term machine learning: algorithms that learn how an output (y) depends on an input (X), through a function y = f(X). In the videos I show you how to implement increasingly complex machine learning functions in Python from scratch.

1. Linear regression and gradient descent

2. Logistic regression

3. Neural Networks

Assignment 1

4. Overfitting

5. Dealing with molecules

Assignment 2

6. Convolution

7. DeepChem

Assignment 3

Final project

Once you are comfortable with Python I can warmly recommend Deep Learning for Molecules and Materials by Andrew White