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ChiralityXP

Purpose:

Use network expansion to analyze chiral evolution over biochemical reactions.

Instructions:

Create a space-seperate .dat file with all seed set compounds on a single line. (ex: C00001 C00002 C12532)

Set SEEDJSON (line 227 in netexp.jl) to the .dat file

julia netexp.jl

julia netexp_postprocessing.jl

Output:

A .json file (found in results/formatted) with all compounds and reactions created from network expansion

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  • Julia 97.1%
  • Python 2.9%