Welcome to the repository of the Machine Learning lecture given at the winter school of the Réseau Français de Chimie Théorique (RCTF) held from 18-29 January 2021. This repository includes the slides of the lecture about "Unsupervised Learning for Chemistry" and a jupyter notebook written in Python for the practical tutorial section.
http://www.chimie-theorique.cnrs.fr/spip.php?article830&lang=fr
The hands-on tutorial was designed to run in a jupyter notebook environment with
- python3 (tested with version 3.8.1)
The following libraries are requested for the tutorial:
- pandas
- numpy
- scikit-learn
- matplotlib
- seaborn
The tutorial can be also run in the google colab environment.