SkillBox
Welcome a computational chemist!
SkillBox is an intermediate level tutorial on Computer-Aided Drug Design Methods and Python programming.
Contents
This set of tutorials was developed by Mgr. Alina Kutlushina
Tutorial on Exploratory small molecules Data Analysis
The most important step in computer modeling is data collection and preprocessing. There are many good pipelines of chemical data preparation. This tutorial teaches a general method that can be applied at the beginning of working with chemical data.
Tutorial on QSAR modeling
This tutorial includes similarite search, unsupervised and supervised machine learning.
Making Contributions
If you are interested, you are welcome to contribute to SkillBox. For more information write on my email: alina.meddwl@gmail.com
Installation
The instruction on how to set up a development environment can be found on Installation.ipynb