patwalters / chem_tutorial

An Introduction to Cheminformatics and Machine Learning

Jupyter notebooks to accompany my introductory tutorial on Cheminformatics and Machine Learning.

Please note that you don't have to install any software to run these Jupyter notebooks. You can just click on the "launch binder" link below and run the software on Binder. However, if you want to install the software on your computer, please follow the instructions below.

Installation

To install this software on your computer.

1. Install Anaconda
2. Install git
3. git clone https://github.com/PatWalters/chem_tutorial.git
4. cd chem_tutorial
5. conda env create -f environment.yml
6. conda activate chem_tutorial
7. jupyter notebook