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Tutorials

PSDI and our partners provide a variety of tutorials that demonstrate how to accomplish certain tasks with technologies utilised by PSDI. Tutorials are organised by resource theme.

BioSim workflows tutorials

The GROMACS plugin for AiiDA aims to enable the capture and sharing of the full provenance of data when parameterising and running molecular dynamics simulations. For more information, see BioSim Workflows aiida-gromacs Tutorials.

Tutorials for machine learnt interatomic potentials

The field of machine learning interatomic potentials (MLIP) is a key technique in atomistic modelling. To learn more about MLIP using tutorials, see Machine Learnt Interatomic Potentials.

What to do next

Related links:

  • Galaxy Training
  • Elixir TeSS: extensive training materials with a focus on computation in the life sciences, but many courses are also relevant for the physical sciences community.

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