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Pycotools3

Pycotools3 is a set of tools for interacting with COPASI simulation software from Python 3. The old repository supports Python 2 only, can be found here and is the version that is described in detail in the bioinformatics publication.

Since publication, the pycotools project has moved to this pycotools3 repository, which is maintained separetly from pycotools. Since moving, the interface to COPASI's parameter estimation task has been significantly improved including inherent multi-model configuration and profile likelihood support - please refer to the pycotools3 documentation for more detail. Despite these improvements, there still a few things left to implement, namely full support for visualisation facilities. For now, users are advised to checkout matplotlib and seaborn.

Documentation

pycotools3 documentation

Support

I'm happy to help if you post questions, bugs, feature ideas etc. as an issue.

Contributions

Contributions, ideas, suggestions, feature requests or anything generally geared towards improving the package are welcome.

Citations

  • Welsh CM, Fullard N, Proctor CJ, Martinez-Guimera A, Isfort RJ, Bascom CC, Tasseff R, Przyborski SA, Shanley DP. PyCoTools: a Python toolbox for COPASI. Bioinformatics. 2018 May 22;34(21):3702-10.

Since this package relies heavily on COPASI and tellurium please also cite

  • Hoops, S., Sahle, S., Gauges, R., Lee, C., Pahle, J., Simus, N., Singhal, M., Xu, L., Mendes, P. and Kummer, U., 2006. COPASI—a complex pathway simulator. Bioinformatics, 22(24), pp.3067-3074.

  • Medley, J.K., Choi, K., König, M., Smith, L., Gu, S., Hellerstein, J., Sealfon, S.C. and Sauro, H.M., 2018. Tellurium notebooks—An environment for reproducible dynamical modeling in systems biology. PLoS computational biology, 14(6), p.e1006220.

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pycotools3's Issues

pycotools3: code for michaelis_menten model creation is not working

Hi.
I am coding according to the pycotools3 documentation (release 12, Jan 2019).
First, i tried to code for importing all the dependencies. it worked.
Second, i tried to built michaelis_menten model according to the documentation.
It showed error by saying that "you should use loada in place of BuildAntimony" (files showing
errors are m_m modelerr1.png and m_m modelerr1-extended.png).
Third, when i use loada. it started showing some positional error in copasi file (related error showing file is m_m modelerr2.png .
Thank you so much in advance for your suggestion.

*My system is Ubuntu 16.04.
I downloaded Anaconda3 (2019.03) with python 3.6 on my ubuntu machine.
Obviously, downloaded pycotools3 using "pip install pycotools3".
My work is on chemical kinetics and model prediction, but i am doing the michaelis_menten model coding to see how pycotools3 works accroding to the given doc, prior to begin my project.

Thanks
Vibha

Question about pycotools vs. python bindings for COPASI

Hey Ciaran,

What's the difference between PyCoTools and the python bindings for COPASI (https://github.com/copasi/COPASI/tree/develop/copasi/bindings/python/examples)?

My goal is to take a model that I've built in COPASI using the GUI, and do a bunch of automated parameter scans, and collect the resulting time-course data for subsequent analysis. I read your 2018 Bioinformatics paper, but the section where you compare PyCoTools to the command line interface was very brief.

Thanks,
Dan

Attribute error in tasks.MultiModelFit and name error in utils

Hi,
I am trying to perform model selection using tasks.MultiModelFit, but it shows the Attribute error saying "AttributeError: module 'pycotools3.tasks' has no attribute 'MultiModelFit' ".

Also while running time course, it reflects name error. I am attaching here the screen shot for you to take a look.

I am working with pycotools 3 and COPASI 4.24. Thanks for your time.

Vibha
I
Attribute and name error

SBML Import

Hi!

I'm curious why pycotools3 is not recognizing my SBML file as an SBMl file?
image

image

image

Any idea?

Thank you!

Best regards,
Brad

how to convert the compartment unit and particle number into molarity

Hi Mr Welsh,
I am again stuck in building model in pycotools3. Generally, it builds the model with mol as species's concentration and liters as compartment unit. I need to convert the compartment unit in femtoliters and species in nmol.
I build models using antimony. I have gone through pycotools3 master's documentation and found the conversion documentation for species. But i am not sure how to apply these in building models. I am seeking your suugestions in this regard.

Thank you for your time and help.

Vibha

convert_units

Not SBML file

image

I've double checked and made sure the xml file I have is an SBML file, yet I'm still getting the above error.

Any ideas? Thanks!

report_type keyword for Profile Likelihood

Hello!

I performed the calculations for obtaining the profile likelihood as in the docs. Parsing the output gives the report for multi_parameter_estimation. I looked into the code, found the report_type keyword, but i couldn't figure out where to use it during the Parameter Estimation configuration.

Retrieving Differential Equations from Copasi File, Antimony String, etc., using Pycotools3

Hello!

I was wondering if it is possible to retrieve the differential equations, e.g. as is done here in COPASI:

using Pycotools3.

This is very important for me, because I would like to pipeline these equations directly into a "scientific machine learning" platform that will using the equations alongside experimental data to determine missing parts of the diff eqs for my master's thesis in bioinformatics.

Thank you very much for your time and attention! And thanks for the great tool!

Best,
Brad

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