Training materials
Authors: Christopher Barnett or Wolmar Nyberg Åkerström
and Contributors: Anatole Chessel or Cyril Pommier or Kaivan Kamali or Simon Bray or Stephan Nylinder
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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
Running molecular dynamics simulations using NAMD
•• intermediateComputational chemistry -
hands-on tutorial
Setting up molecular systems
•• intermediateComputational chemistry