Difference between revisions of "DScribe"

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|{{#vardefine:app|DScribe}}
 
|{{#vardefine:app|DScribe}}

Revision as of 16:51, 17 December 2021

Description

DScribe website  

DScribe is a python package for creating machine learning descriptors for atomistic systems.

Environment Modules

Run module spider DScribe to find out what environment modules are available for this application.

System Variables

  • HPC_DSCRIBE_DIR - installation directory
  • HPC_DSCRIBE_BIN - executable directory




Citation

If you publish research that uses DScribe you have to cite it as follows:

DScribe: Library of descriptors for machine learning in materials science