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A Python package for representing reaction networks and simulating their behaviors

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leihuang/rxnnet

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A Python package for representingreaction networks, and computing theirstructures andbehaviors. Currently the core of it is implemented as a wrapper ofSloppyCell.

Mathematically, a reaction network can be represented as dx/dt = N v(x,p), where x, v and p are the concentration, rate and parameter vectors, respectively and N is the stoichiometry matrix.

Examples of structures:

  • Stoichiometry matrix N
  • Left and right null spaces of N
  • Reduced stoichiometry matrix Nr (a selection of N's rows with trivial left null space) and link matrix L where N = L Nr

Examples of behaviors:

  • Dynamics x(t)
  • Steady states s = x(inf) and J = v(s, p)
  • Parameter sensitivities of them dx(t)/dp, Rs = ds/dp and RJ = dJ/dp
    • elasticities Ep = dv/dp and Ex = dv/dx
    • control matrices Cs = -(N Es)-1 N and CJ = I + Es Cs

Prerequisites

Usage examples

importrxnnetnet=rxnnet.network.Network('net')net.add_compartment(id='env')net.add_compartment(id='cell')net.add_species(id='C1',compartment='env',initial_value=2,is_constant=True)net.add_species(id='C2',compartment='env',initial_value=1,is_constant=True)net.add_species(id='X',compartment='cell',initial_value=0)net.add_reaction(id='R1',eqn='C1<->X',ratelaw='k1*(C1-X)',p={'k1':1})net.add_reaction(id='R2',eqn='X<->C2',ratelaw='k2*(X-C2)',p={'k2':2})traj=net.integrate((0,10))traj.plot()

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A Python package for representing reaction networks and simulating their behaviors

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