The Molecular Sciences Software Institute (the MolSSI) is an NSF-funded institute that aims to improve software, education, and training in computational chemistry. The MolSSI will offer two workshops this summer as part of the MERCURY Conference on Computational Chemistry. Each workshop is a four-part webinar. The webinars will be held on Tuesdays and Thursdays in June from 1-4 pm ET. Each workshop is a complete series where each class builds on the prior class; it is important that you be able to attend all four sessions for your chosen workshop(s).
The Python Data and Scripting workshop is intended for students who are involved in, or are about to start, computational chemistry research. No prior python programming experience is required to attend the workshop. The workshop aims to help students develop practical programming skills that are immediately applicable to their research. Topics covered include basic python syntax, file parsing, analyzing data with numpy, and graphing data with matplotlib. The workshop will be June 1, 3, 8, and 10.
The Molecular Mechanics Tools workshop introduces students to fundamental concepts in molecular mechanics and molecular dynamics. The workshop utilizes the python packages openmm and mdtraj. The workshop assume students have a basic understanding of python syntax and data structures. The Python Data and Scripting workshop or equivalent skills are a prerequisite for this workshop. The workshop will be June 15, 17, 22, and 24.
The workshops are full.