csu-wiki
Adding Packages
Adding Pages to the Wiki
Getting Started
Paton Lab Computing Resources
Kim Lab Computing Resources
Essential Unix Commands
File System Layout
Submitting Jobs
Fun with Coworkers
Coding Resources
Working with Files
Moving/Renaming Files
Terminal Basics
Working with Computers
Using GitHub
Helpful Packages
GoodVibes
DBSTEP
REGGAE
DISCO
AQME
Slurm Job Tracking
pyssian
RDKit
CREST
ROBERT
YADDA
Graphical Software
Inkscape & GIMP
Matplotlib
PyMOL
Example Workflows
End-to-End Workflow in ACME
GoodVibes
REGGAE
RDKit, Mordred, Morfeus & DBStep
CENSO
NCIPLOT
qcalibrate
YADDA
Concepts
Classical Molecular Dynamics
csu-wiki
Index
Index