Tutorials

During our tutorials, we will go through some sections as follows:

• Foundations

This section is the main tutorials which lays the foundation that every chemist should be aware of on how to deal with chemistry and molecules digitally.

We will go through some topics:

• The role of Data Science in Chemistry and Cheminformatics

• Molecular Models Types and how we interact with them

• Structure representation  and how chemical structures are represented digitally

• Chemical Compounds Files Formats and Chemical file conversion

• Compound Database PubChem in Python

• Compound Database ChemSpider in Python

• Setting Up Your Environment

• Intro to Cheminformatics with RDKIT

• Chemistry Visualization with py3Dmol

• Generate molecules from molecular formula.

• Molecular Processing With datamol