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ssec-jhu / bluephos

automated computational tool streamlining the development and analysis of blue phosphorescent materials
BSD 3-Clause "New" or "Revised" License
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add an example pipeline for blue phosphorescent molecular #5

Closed xiangchenjhu closed 11 months ago

xiangchenjhu commented 11 months ago

Include Dockerfile and environmental YAML for replicating example pipeline, scripts to run pipeline

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xiangchenjhu commented 11 months ago

Just wondering what is the submodule doing there, I don't see a reference to anything inside (and ), and why commit the empty install-pipeline-example.sh?

1) I've uploaded the submodule files to the repo. These are scripts that Alexander crafted for the example pipeline;
2) "if the contents should be in the image, any reason to not just git clone it there?" what do you mean "git clone" here? 3) 'install-pipeline-example.sh' has been removed and will be uploaded in the next update (some of the steps need validate).