All Categories (1-5 of 5)

1. Integrating Programming and Cheminformatics into the Molecular Science Curriculum: Resources from the Molecular Sciences Software Institute using nanoHUB

   Online Presentations | 31 Jan 2024 | Contributor(s):: Ashley Ringer McDonald

   This presentation will describe open-source curriculum from the Molecular Sciences Software Institute (the MolSSI) to teach programming and cheminformatics using nanoHUB. The MolSSI is an NSF-funded institute that aims to improve software, education, and training in the computational molecular...

2. Python for Cheminformatics

   Tools | 22 Nov 2023 | Contributor(s):: Jessica Nash, Ashley Ringer McDonald

   Notebooks demonstrating an introduction to cheminformatics using Python

3. Scientific Data Visualization using Python

   Online Presentations | 09 Jun 2022 | Contributor(s):: Jessica Nash, Ashley Ringer McDonald

   This lecture looks at scientific data visualization using matplotlib, plotly, and visulizing molecular structures using scientific NGLView.

4. PolymerXtal - Polymer Crystal Structure Generator and Analysis Software

   Tools | 15 Dec 2020 | Contributor(s):: Tongtong Shen, Jessica Nash, Alejandro Strachan

   PolymerXtal is a software designed to build and analyze molecular-level polymer crystal structures.

5. MolSSI Python Data and Scripting

   Courses|' 20 Apr 2022

   The MolSSI Python Data and Scripting hands-on course is designed for students who are currently involved in, or planning to start computational chemistry research.

   https://nanohub.org/courses/MolSSI_Python