Difference between revisions of "DScribe"
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Latest revision as of 16:52, 17 December 2021
Description
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