Training materials
Contributors: Anatole Chessel or Michael Parkin or Simon Bray or Software Carpentry or Stian Soiland-Reyes
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hands-on tutorial
Hands-on for 'Protein-ligand docking' tutorial
•• intermediateComputational chemistry computational-chemistry -
hands-on tutorial
Hands-on for 'Protein target prediction of a bioactive ligand with Align-it and ePharmaLib' tutorial
•• intermediateComputational chemistry computational-chemistry -
hands-on tutorial
Hands-on for 'Running molecular dynamics simulations using GROMACS' tutorial
•• intermediateComputational chemistry computational-chemistry -
hands-on tutorial
Hands-on for 'Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring' tutorial
•• intermediateComputational chemistry computational-chemistry covid19 one-health -
hands-on tutorial
Hands-on for 'Analysis of molecular dynamics simulations' tutorial
•• intermediateComputational chemistry computational-chemistry -
hands-on tutorial
Hands-on for 'High Throughput Molecular Dynamics and Analysis' tutorial
••• advancedComputational chemistry computational-chemistry -
hands-on tutorial
Hands-on for 'Running molecular dynamics simulations using NAMD' tutorial
•• intermediateComputational chemistry computational-chemistry -
hands-on tutorial
Hands-on for 'Setting up molecular systems' tutorial
•• intermediateComputational chemistry computational-chemistry -
Carpentries style curriculum
Introduction to Workflows with Common Workflow Language
• beginnerWorkflows RNA-Seq analysis cwl commonwl sciworkflows workflows -
Jupyter notebook
BioExcel Building Blocks (BioBB) Training Material
• beginnermolecular dynamics Docking Modeling life sciences