https://codingforchemistsbook.com/index.html Welcome to the companion site for the Coding for Chemists book! Coding for Chemists is a book (availible on April 7th, 2026) by professors Christopher Johnson (Stony Brook University) and Benjamin Lear (The Pennsylvania State University) aimed at helping chemists learn to code in Python. The target audience for the book are people who have workflows common to chemical research and that they would like to streamline or to which they would like to add additional capabilities or data visualization. Thus, the book presents core Python concepts, data visualization, and data analysis topics as needed in the context of a student researcher’s evolving thesis research project. It begins with the automation of large-scale experimental design in well plates (Chapter 1) and rapidly progresses to automated fitting of complex models to data (Chapter 6). At the end of each chapter, the reader will both understand more of Python and have a new tool that could be immediately used in chemical research. A complete list of workflows and topics can be found in the Table of Contents. Hugo en-us authors@codingforchemistsbook.com (Benjamin Lear and Christopher Johnson) authors@codingforchemistsbook.com (Benjamin Lear and Christopher Johnson) Tue, 01 Apr 2025 00:00:00 +0000 https://codingforchemistsbook.com/getting-started/index.html Fri, 14 Mar 2025 00:00:00 +0000authors@codingforchemistsbook.com (Benjamin Lear and Christopher Johnson) https://codingforchemistsbook.com/getting-started/index.html Setting up a good Python environment Here, you can find detailed instructions to set up a usable Python environment for a chemist: installing Python installing the libraries needed for this book testing the installation how to make your python enivironment more convenient to use trouble shooting tips a discussion of what you can do if nothing else works. Additionally, we have a section on advanced options for installation, but we strongly urge new readers to follow the recommended steps presented below. https://codingforchemistsbook.com/book_material/index.html Mon, 01 Jan 0001 00:00:00 +0000authors@codingforchemistsbook.com (Benjamin Lear and Christopher Johnson) https://codingforchemistsbook.com/book_material/index.html https://codingforchemistsbook.com/instructor_materials/index.html Tue, 01 Apr 2025 00:00:00 +0000authors@codingforchemistsbook.com (Benjamin Lear and Christopher Johnson) https://codingforchemistsbook.com/instructor_materials/index.html If you are an instructor considering teaching programming to undergraduate or graduate students, this section of the webpage will provide resources for you. If you are considering a stand-alone course, we will provide outlines of both semester-long and quarter-long courses. If you are looking for ways to teach programming throughout your department’s curricula, we also have ideas about that. We also have experience-based guidance for how to teach coding to chemists, for those new to doing so. https://codingforchemistsbook.com/data/index.html Sat, 01 Mar 2025 00:00:00 +0000authors@codingforchemistsbook.com (Benjamin Lear and Christopher Johnson) https://codingforchemistsbook.com/data/index.html This section of the website contains data needed to solve the problems in the book. Will be published with the book. The complete set of data can be downloaded here If you want individual data, then consult this list: amyloid_assay.csv AuNP Raman.csv CO2-IR.csv expfit.csv HCl-IR.csv HDI IR.csv KBr.csv NMR.csv Raman UIO66.csv sizes.csv Stress-Strain.xlsx Stress-Strain1.csv Stress-Strain1.ssv Stress-Strain1.tsv https://codingforchemistsbook.com/codechembook/index.html Sat, 01 Mar 2025 09:00:39 -0500authors@codingforchemistsbook.com (Benjamin Lear and Christopher Johnson) https://codingforchemistsbook.com/codechembook/index.html In the process of writing the Coding for Chemists book, we found ourselves devising a number of solutions for common tasks. Reasoning that other chemists (or scientists) might encounter similar tasks, we collected the solutions into a library called “codechembook”. This library is available on both pypi and conda-forge. Documentation for this library can be found at: https://chrisjohnsonsbu.github.io/CodeChemBook/