Training materials
Authors: Egon Willighagen or Malachi Griffith or Simon Bray or allegra.via Via or yvanlebras
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Blog post
Making BridgeDb Derby files with Groovy
•• intermediateBridgeDb Groovy -
Creating InChIKeys for IUPAC names
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hands-on tutorial
Hands-on for 'Contributing to BioBlend as a developer' tutorial
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hands-on tutorial
Hands-on for 'Classification in Machine Learning' tutorial
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hands-on tutorial
Hands-on for 'Regression in Machine Learning' tutorial
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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