Scientific Data Visualization using Python

By Jessica Nash1; Ashley Ringer McDonald2

1. Molecular Sciences Software Institute, Virginia Tech University, Blacksburg, VA 2. Chemistry & Biochemistry, Cal Poly, San Luis Obispo, CA

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Abstract

This lecture looks at scientific data visualization using matplotlib, plotly, and visulizing molecular structures using scientific NGLView. The presentation begins with a short overview of the Molecular Sciences Software Institute (MolSSI)

This lecture is part of the course Python Data and Scripting. This course is designed for students who are currently involved in, or planning to start computational chemistry research. The course is designed to help students develop practical programming skills that will benefit their undergraduate research, and will take students through introductory programming and scripting with Python to version control and sharing their code with others.

While this course has a focus on chemistry, the course is general enough that it would be beneficial to students wishing to learn Python for use with other fields of study.

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Researchers should cite this work as follows:

  • Jessica Nash, Ashley Ringer McDonald (2022), "Scientific Data Visualization using Python," https://nanohub.org/resources/36124.

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