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DScribe is a python package for creating machine learning descriptors for atomistic systems.
module spider DScribe to find out what environment modules are available for this application.
- HPC_DSCRIBE_DIR - installation directory
- HPC_DSCRIBE_BIN - executable directory
If you publish research that uses DScribe you have to cite it as follows:
DScribe: Library of descriptors for machine learning in materials science