StochSS / GillesPy2

Modeling toolkit for biochemical simulation
http://gillespy2.readthedocs.io/
GNU General Public License v3.0
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Return values of predicted reaction fluxes #599

Closed jonrkarr closed 3 weeks ago

jonrkarr commented 3 years ago

Some studies examine predictions for reaction fluxes. It would be great to return these values.

We we're working with BioModels to add buttons such as "Simulate with GillesPy2", "Simulate with COPASI", etc. Some studies require this information.

briandrawert commented 3 years ago

Can you please clarify what is meant by reaction fluxes? If possible, please provide a model that has this feature.

jonrkarr commented 3 years ago

COPASI, tellurium, VCell and others can return the rate/velocity/flux of each reaction at each time point. Here's the corresponding method of RoadRunner.

Here's a few examples of simulation experiments in BioModels which involve observables for reaction fluxes