Training materials
Contributors: Ajay Pillai or Armando Arredondo Soto or Donny Vrins or Dr. Nils Gehlenborg or Emma Leith or Simon Bray
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hands-on tutorial
Hands-on for 'Python - Math' tutorial
• beginnerdata-science jupyter-notebook -
hands-on tutorial
Hands-on for 'Introduction to SQL' tutorial
• beginnerdata-science SQL jupyter-notebook -
hands-on tutorial
Python - Lists & Strings & Dictionaries
• beginnerSoftware engineering data-science jupyter-notebook -
hands-on tutorial
Hands-on for 'Automating Galaxy workflows using the command line' tutorial
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hands-on tutorial
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
•• intermediateComputational chemistry -
hands-on tutorial
Protein-ligand docking
•• intermediateComputational chemistry -
hands-on tutorial
Hands-on for 'Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring' tutorial
•• intermediatecomputational-chemistry covid19 one-health -
hands-on tutorial
Running molecular dynamics simulations using GROMACS
•• intermediateComputational chemistry -
hands-on tutorial
Analysis of molecular dynamics simulations
•• intermediateComputational chemistry -
hands-on tutorial
High Throughput Molecular Dynamics and Analysis
••• advancedComputational chemistry