Training materials
Authors: Erik Hedman or Simon Bray
and Contributors: Björn Grüning or Brane Leskosek or Dr. Nils Gehlenborg or Markus Englund or Nadia Goué
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lessons, e-learning
Introduction to Data Management Practices - Versioning of data and code using Git
• beginnerData management FAIR data Software engineering RStudio CONVERGE README -
hands-on tutorial
Analysis of molecular dynamics simulations
•• intermediateComputational chemistry -
hands-on tutorial
High Throughput Molecular Dynamics and Analysis
••• advancedComputational chemistry -
hands-on tutorial
Setting up molecular systems
•• intermediateComputational chemistry