Introduction to Python for Chemistry

Are you a person with a background in chemistry, engineering, biology, or physical sciences interested in learning a programming language to model problems of chemistry with programming? Or maybe you are someone from a computer science background who is curious about how to model problems of chemistry computationally.

In this course, you'll know how to model different problems of chemistry with Python! Through each section, you'll learn (or review) basic concepts of the programming language Python! The following classes are exercises in which I explain some problems of chemistry. After watching these classes, it is expected that you try to solve these problems by yourself. In the following videos, I solve the problems of chemistry step-by-step in the programming language Python.

Each chapter is structured as follows:

• Basic lectures about some subjects of Python (variables, data types, loops, etc.

• Videos of exercises, in which I explain the problems of chemistry that you must model in Python

• Videos of the exercises being solved

Also, there are three projects that you must solve after you watch a certain number of classes. In the first project, you must write code that reads a string of characters representing an organic compound (as SMILES) and generates the name of the compound according to IUPAC rules. In the second project, you must write code that generates the molecular formula of a compound given the elements present in the substance, their molar masses, and their relative amounts in a sample. And finally, in the third project, you must write a program that balances a chemical equation by multiplying the components of the reaction by random coefficients. Each of these projects is cumulative and requires knowledge about the commands and methods that have been seen so far in Python.

Since this course is introductory, we will only use built-in commands and libraries.