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The Molecular Sciences Software Institute (the MolSSI) is an NSF-funded institute whose goals are to improve software, education, and training in the computational molecular sciences. The MolSSI has developed a Python scripting and data analysis workshop aimed at undergraduate students, particularly in the computational molecular sciences. This workshop will train instructors to teach this workshop. The workshop covers topics such as: Reading and writing files, File manipulation and parsing, Analyzing and graphing data, Creating command line programs from Python scripts. MolSSI is developing nationwide network of instructors who can teach this workshop to students through conferences, REU programs, university workshops, online webinars, and other events. This workshop will introduce instructors to the workshop curriculum, discuss best practices in programming instruction, and offer participants the chance to workshop the “live coding” style of teaching used in the curriculum. All curriculum will be made available to workshop participants through GitHub so they can easily offer a workshop at their own university or in their region. Best practices for presenting the workshop as an online webinar will also be discussed. The curriculum focuses data analysis and scripting in computational molecular science using Python. Participants with prior Python programming experienced are welcome, but prior programming experience is not required.

Cross-cutting Thread(s):
Organizer 1

Ashley Ringe

Organizer 1 Email
armcdona@calpoly.edu
Organizer 2

Jessica Nash

Organizer 2 Email
janash@vt.edu