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

Published on

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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Cite this work

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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Tags

Scientific Data Visualization using Python
  • Scientific Data Visualization 1. Scientific Data Visualization 0
    00:00/00:00
  • What is theMolSSI? 2. What is theMolSSI? 159.39272605939274
    00:00/00:00
  • MolSSI Board of Directors 3. MolSSI Board of Directors 204.47113780447114
    00:00/00:00
  • MolSSI Goal #1 4. MolSSI Goal #1 261.96196196196195
    00:00/00:00
  • MolSSI Goal #2 5. MolSSI Goal #2 297.16383049716381
    00:00/00:00
  • MolSSI Goal #3 6. MolSSI Goal #3 326.49315982649318
    00:00/00:00
  • MolSSI Education 7. MolSSI Education 347.54754754754754
    00:00/00:00
  • MolSSI Education Images 8. MolSSI Education Images 412.71271271271274
    00:00/00:00
  • MolSSI Software Fellowships 9. MolSSI Software Fellowships 422.62262262262266
    00:00/00:00
  • MolSSI Software Fellowship Program 10. MolSSI Software Fellowship Pro… 483.91725058391728
    00:00/00:00
  • Getting Started 11. Getting Started 590.79079079079077
    00:00/00:00
  • Plotting with matplotlib 12. Plotting with matplotlib 697.66433099766436
    00:00/00:00
  • Using pandas 13. Using pandas 751.5515515515516
    00:00/00:00
  • Matplotlib 14. Matplotlib 1317.2505839172507
    00:00/00:00
  • Get HTML color codes 15. Get HTML color codes 2231.6316316316315
    00:00/00:00
  • Subplots 16. Subplots 3355.3553553553556
    00:00/00:00
  • Contour Plots 17. Contour Plots 4107.7744411077747
    00:00/00:00
  • Creating plots with plotly 18. Creating plots with plotly 4514.0807474140811
    00:00/00:00
  • Subplots in Plotly 19. Subplots in Plotly 5912.37904571238
    00:00/00:00
  • PDB Visualization using NGLView 20. PDB Visualization using NGLVie… 5969.9366032699372
    00:00/00:00
  • Resources 21. Resources 6907.2739406072742
    00:00/00:00