Scientific Computing for Chemists is a free text for teaching basic computing skills to chemists using Python, Jupyter notebooks, and the other Python packages. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, nmrglue, SymPy, scikit-image, and scikit-learn. - weisscharlesj/SciCompforChemists

In this tutorial, a program written in Python will take a user specified chemical name and retrieve the associated chemical identifier or basic property using an online chemical database.

Aug 19, 2021 · ChemPy is a python package designed mainly to solve problems in analytical, physical and inorganic Chemistry. It is a free, open-source Python toolkit for chemistry, chemical engineering, and materials science applications. ChemPy includes classes for representing substances, reactions, and systems of reactions.

This is an open-source project to develop an introductory textbook covering all aspects of Python programming for chemistry students (at all career positions). We welcome and recognize all contributions from writing new content to proof reading to improving figures. You can see a list of current contributors in the contributors tab.

Learning to use a number of popular Python scientific libraries to solve chemical problems is one of the themes of this book. A Python library can be thought of as a tool pack with premade functions for performing common tasks in scientific data processing, analysis, and visualization.

Key data types and uses. Control Flow Statements. Basic NumPy and arrays. File input/output using pandas and plotting using matplotlib. Physical chemistry in Python. Practical machine learning for chemists. There is also a worksheet with numerous practice problems (with answer code) for you to put your new Python knowledge to the test!

This is a work in progress Jupyter Book with tutorial content for doing data analysis in Python with common experimental data formats, with particular focus towards measurements relevant for physical chemistry.

Discover beginner level python project ideas for chemists. Learning to code by completing these projects will make you stand out from the rest when searching for a new job.

A curated list of awesome Python frameworks, libraries, software and resources related to Chemistry. Inspired by awesome-python. Packages and tools for general chemistry. AQME - …

Welcome to PyChem ¶ An introductory guide to learning Python for scientific (specifically chemical) applications. This document was last updated at 2023-04-04 at 15:28. The source code for this website is located on GitHub, which contains a list of recent changes as well. Contents ¶