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 # OpenCatalyst
 This repository contains the following:
 - scripts to set up a python venv and run the codebase [open_cataylst](https://github.com/chelseajohn/hpc.git) on JSC JuwelsBooster
-- Results of initial test_runs
+- Results of initial runs in OpenCatalystOutput folder
 
 # Set up
 - make a directory and clone the forked repository [hpc](https://github.com/chelseajohn/hpc.git) ;made compatible with JUWELS