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User guide

  • Create module walktrough
  • Uploading content into Create
  • Publish a dataset into Browse
  • Generating reports
  • Video tutorials

Installation guide

  • System requirements
  • Steps prior installation
  • Installation procedure
  • Creating users and groups
  • Publishing endpoints definition
  • Post-installation steps
  • Advanced system configuration

FAQ

  • General usage
  • Administration
  • Errors

Data conversion

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  • Feature matrix
  • From chemical codes to CML
    • ADF
    • AMS
    • Amber
    • CASTEP
    • Gaussian
    • GROMACS
    • GronOR
      • environment
      • initialization
      • geometry
      • calculation
      • finalization
    • LAMMPS
    • MOLCAS
    • MOPAC
    • Orca
    • QuantumEspresso
    • Turbomole
    • VASP
  • From CML to HTML5 report
  • Conversion test dataset
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GronORΒΆ

  • environment
  • initialization
  • geometry
  • calculation
  • finalization
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