This repository contains the code and instructions for setting up for the AI in Drug Discovery workshop sessions.
During the workshop, we will be using a framework for machine learning in drug discovery called DeepChem. DeepChem is a Python library and toolchain that combines multiple machine learning algorithms, frameworks and datasets and provides a unified interface for training and evaluating models in drug discovery.
For each workshop session, we will be practically using DeepChem through a set of tutorial Jupyter Notebooks from the DeepChem library.
This workshop will introduce you to the basics of DeepChem and will allow you to familiarize yourself with the library.
This workshop covers lectures 3-5 of the AI in Drug Discovery lecture course.
Please note these two notebooks need to be run using Colab.