Difference between revisions of "DScribe"

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(Created page with "Category:Software {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|REPLACE}} |{{#vardefine:url|REPLACE}} <!--CONFIGURATION: OPTIONAL (|1}} means it's ON)--> |{{#vardefin...")
 
 
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[[Category:Software]]
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[[Category:Software]][[Category:Machine Learning]]
 
{|<!--CONFIGURATION: REQUIRED-->
 
{|<!--CONFIGURATION: REQUIRED-->
|{{#vardefine:app|REPLACE}}
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|{{#vardefine:app|DScribe}}
|{{#vardefine:url|REPLACE}}
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|{{#vardefine:url|https://github.com/SINGROUP/dscribe}}
 
<!--CONFIGURATION: OPTIONAL (|1}} means it's ON)-->
 
<!--CONFIGURATION: OPTIONAL (|1}} means it's ON)-->
 
|{{#vardefine:conf|}}          <!--CONFIGURATION-->
 
|{{#vardefine:conf|}}          <!--CONFIGURATION-->
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|{{#vardefine:testing|}}      <!--PROFILING-->
 
|{{#vardefine:testing|}}      <!--PROFILING-->
 
|{{#vardefine:faq|}}            <!--FAQ-->
 
|{{#vardefine:faq|}}            <!--FAQ-->
|{{#vardefine:citation|}}      <!--CITATION-->
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|{{#vardefine:citation|1}}      <!--CITATION-->
 
|{{#vardefine:installation|}} <!--INSTALLATION-->
 
|{{#vardefine:installation|}} <!--INSTALLATION-->
 
|}
 
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{{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}}
 
{{App_Description|app={{#var:app}}|url={{#var:url}}|name={{#var:app}}}}|}}
  
DESCRIPTION
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DScribe is a python package for creating machine learning descriptors for atomistic systems.
  
 
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==System Variables==
 
==System Variables==
 
* HPC_{{uc:{{#var:app}}}}_DIR - installation directory
 
* HPC_{{uc:{{#var:app}}}}_DIR - installation directory
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* HPC_{{uc:{{#var:app}}}}_BIN - executable directory
 
<!--Configuration-->
 
<!--Configuration-->
 
{{#if: {{#var: conf}}|==Configuration==
 
{{#if: {{#var: conf}}|==Configuration==
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If you publish research that uses {{#var:app}} you have to cite it as follows:
 
If you publish research that uses {{#var:app}} you have to cite it as follows:
  
WRITE_CITATION_HERE
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[https://www.sciencedirect.com/science/article/pii/S0010465519303042?via%3Dihub DScribe: Library of descriptors for machine learning in materials science]
  
 
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Latest revision as of 16:52, 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