Molecular Dynamics 4

• A Simple NAMD Application
• NAMD with input data from Stash using HTTP
• Pegasus - NAMD example
• GROMACS

Drug Discovery 2

• AutoDock Vina
• Managing AutoDock Vina Tasks with Pegasus

Quantum Chemistry 1

• Electronic Structure Calculations with CP2K

Bioinformatics 3

• Sequence Search with BLAST
• Blast Similarity Search with Pegasus
• StashCache-Blast

Workflow solutions 5

• Makeflow - Quickstart
• Makeflow - Running GROMACS simulations in sequence of steps
• DAGMan - NAMD example
• Pegasus
• Swift

MATLAB Runtime 4

• Basics of compiled MATLAB applications - Hello World example
• RandomMatrix and Wigner's semi-circle law
• Parameter sweep: Resonance in a driven-damped harmonic oscillator
• Optimization Tool box: Simulated Annealing

R 3

• Calcuating Pi using R
• Adding external packages to your R jobs
• Scaling up compute resources

Python 1

• Virtualenv in Python

Using FreeSurfer on OSG 9

• What's New in Fsurf 2.0
• Introduction to Fsurf and FreeSurfer
• Setting up Fsurf on Your Computer
• Using Fsurf
• Processing Multiple Subjects Using Fsurf

See all 9 articles

Machine Learning 2

• TensorFlow
• Tensorflow - A simple matrix multiplication