SciML / PubChemReactions.jl

Generation of reaction networks from PubChem data
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graph metadata draft #10

Closed anandijain closed 2 years ago

utkarsh530 commented 3 years ago

LGTM. We can iteratively improve it though

anandijain commented 3 years ago

dont merge. for now this is stalled. we need to start working on higher biological abstractions, mainly at cellular popluation level.

im hoping this tooling can eventually be used to do thermo and basic chemistry simulations, but it isnt a focus for what were building in qsp

anandijain commented 3 years ago

ill clean up and push my changes that i have locally but its not really relevant yet