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Chelsea Maria John
OpenCatalyst
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ac623cfa
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ac623cfa
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2 years ago
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Chelsea Maria John
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# OpenCatalyst
# OpenCatalyst
This repository contains the following:
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
-
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
# Set up
-
make a directory and clone the forked repository
[
hpc
](
https://github.com/chelseajohn/hpc.git
)
;made compatible with JUWELS
-
make a directory and clone the forked repository
[
hpc
](
https://github.com/chelseajohn/hpc.git
)
;made compatible with JUWELS
...
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