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create main function #55

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jray-afk opened this issue Oct 1, 2020 · 0 comments

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jray-afk commented Oct 1, 2020

Main function is needed which calls all the sub projects in the order needed for the chemical network generation->analysis pipeline.

Order of sub-projects: network generation -> tautomer filtering routines -> analysis routines

Implement error handling for missing software dependencies.

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