alchemtest

Overview

  • Installing alchemtest
  • Basic usage
  • Contributing new data sets
  • Helper functions and classes

Datasets

  • Amber datasets
  • Gromacs datasets
  • GOMC datasets
  • LAMMPS datasets
  • NAMD datasets
  • Generic datasets
alchemtest
  • Overview: module code

All modules for which code is available

  • alchemtest
    • alchemtest.amber.access
    • alchemtest.generic.access
    • alchemtest.gmx.access
    • alchemtest.gomc.access
    • alchemtest.lammps.access
    • alchemtest.namd.access

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