Main Page

Welcome to the Rasulev Research Group Wiki!

The Computational Polymer Science and Cheminformatics Group at North Dakota State University

This page hosts the tutorials and procedures for the group. Implementing MediaWiki, it provides a platform to organize knowledge and make it available to both lab collaborators and students.

Topic Crash Courses

• Statistical Machine Learning
• Unix Crash Course

Lab Procedures and Software Tutorials

• ADF ReaxFF
• Avogadro
• BuildQSAR
• ChemDraw
• ChemSketch
• Creating animations with ffmpeg
• Dragon5
• Generating Descriptors Workflow
• HyperChem
• JupyterLab
• OpenBabelGUI
• QSARINS
• VASP
• WEKA

Benchmarks and Findings

• Benchmarking NAMD workflows for GPU containers