Python scripting to streamline your workflows

Every installation of the Amsterdam Modeling Suite comes with a ready-to-use scientific Python stack that includes our popular Python Library for Automatic Molecular Simulation (PLAMS). PLAMS offers a convenient interface to AMS engines and AMSDriver allowing for most flexible and most efficient workflow creation. Whether you want to search, optimize, refine, fit or filter, it can be automatized with PLAMS.

Plams jupyter gui
  • Excellent documentation, including many examples
  • PLAMS cookbook with copy&pastable code snippets
  • Seamless communication of results (coordinates, properties,…) between engines
  • Easy parallel job execution
  • Integration with most popular job schedulers (OGE, SLURM, TORQUE,..)
  • Strong support for Molecular Dynamics calculations for both setup and (custom) analysis
  • Interfaced to many external codes (VASP, ORCA, CP2K, Crystal, DFTB+,…)

Not sure what modeling tools you need for you research project?