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Title: GitHub - willtu/MPWorks: merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project

Open Graph Title: GitHub - willtu/MPWorks: merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project

X Title: GitHub - willtu/MPWorks: merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project

Description: merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project - willtu/MPWorks

Open Graph Description: merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project - willtu/MPWorks

X Description: merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project - willtu/MPWorks

Opengraph URL: https://github.com/willtu/MPWorks

X: @github

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the MPenv codehttps://github.com/materialsproject/MPenv
https://patch-diff.githubusercontent.com/willtu/MPWorks#1-introduction-and-pre-requisites
http://pymatgen.orghttp://pymatgen.org
http://pythonhosted.org/pymatgen-db/http://pythonhosted.org/pymatgen-db/
http://pythonhosted.org/custodian/http://pythonhosted.org/custodian/
http://pythonhosted.org/FireWorks/http://pythonhosted.org/FireWorks/
https://patch-diff.githubusercontent.com/willtu/MPWorks#11-fireworks-prerequisites
http://pythonhosted.org/FireWorks/http://pythonhosted.org/FireWorks/
https://patch-diff.githubusercontent.com/willtu/MPWorks#12-custodian-prerequisites
http://pythonhosted.org/custodian/http://pythonhosted.org/custodian/
http://pythonhosted.org/pymatgen/http://pythonhosted.org/pymatgen/
http://pythonhosted.org/pymatgen-db/http://pythonhosted.org/pymatgen-db/
https://patch-diff.githubusercontent.com/willtu/MPWorks#14-other-prerequisites
https://patch-diff.githubusercontent.com/willtu/MPWorks#2-designing-scientific-workflows-for-running-at-nersc
https://patch-diff.githubusercontent.com/willtu/MPWorks#21-how-workflow-design-fits-in
https://patch-diff.githubusercontent.com/willtu/MPWorks/blob/master/mpworks/docs/a.png
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https://patch-diff.githubusercontent.com/willtu/MPWorks#234-vasptodbtask
https://patch-diff.githubusercontent.com/willtu/MPWorks#234-other-mpworks-tasks-eg-setup-style-tasks-and-controller-tasks
https://patch-diff.githubusercontent.com/willtu/MPWorks#24-organizing-firetasks-into-workflows
https://patch-diff.githubusercontent.com/willtu/MPWorks/blob/master/mpworks/docs/h.png
https://patch-diff.githubusercontent.com/willtu/MPWorks#241-a-prototypical-materials-science-workflow--iteration-1
https://patch-diff.githubusercontent.com/willtu/MPWorks/blob/master/mpworks/docs/e.png
https://patch-diff.githubusercontent.com/willtu/MPWorks#242-a-prototypical-materials-science-workflow--iteration-2
https://patch-diff.githubusercontent.com/willtu/MPWorks/blob/master/mpworks/docs/f.png
https://patch-diff.githubusercontent.com/willtu/MPWorks#243-a-prototypical-materials-science-workflow--iteration-3
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https://patch-diff.githubusercontent.com/willtu/MPWorks#25-workflow-implementations
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https://patch-diff.githubusercontent.com/willtu/MPWorks#3311-option-1-add-a-simple-mpworks-workflow
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https://patch-diff.githubusercontent.com/willtu/MPWorks#3314-option-4--use-the-submissions-framework--built-in-test-set
https://patch-diff.githubusercontent.com/willtu/MPWorks#3315---running-custom-workflows
https://github.com/materialsvirtuallab/fireworks-vasphttps://github.com/materialsvirtuallab/fireworks-vasp
https://patch-diff.githubusercontent.com/willtu/MPWorks#332-verifying-your-workflows
http://pythonhosted.org/FireWorks/query_tutorial.htmlhttp://pythonhosted.org/FireWorks/query_tutorial.html
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