SBMLToolkit

SBML differential equation and chemical reaction model (Gillespie simulations) for Julia's SciML ModelingToolkit

https://github.com/sciml/sbmltoolkit.jl

Science Score: 67.0%

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  • CITATION.cff file
    Found CITATION.cff file
  • codemeta.json file
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  • DOI references
    Found 2 DOI reference(s) in README
  • Academic publication links
  • Committers with academic emails
    1 of 18 committers (5.6%) from academic institutions
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  • Scientific vocabulary similarity
    Low similarity (14.8%) to scientific vocabulary

Keywords

chemical-reaction-networks differential-equations gillespie-algorithm julia ode quantitative-systems-pharmacology sbml sciml systems-biology

Keywords from Contributors

matrix-exponential pde julialang ordinary-differential-equations graphics krylov-methods efast global-sensitivity-analysis gsa morris-method
Last synced: 6 months ago · JSON representation ·

Repository

SBML differential equation and chemical reaction model (Gillespie simulations) for Julia's SciML ModelingToolkit

Basic Info
Statistics
  • Stars: 44
  • Watchers: 7
  • Forks: 10
  • Open Issues: 19
  • Releases: 32
Topics
chemical-reaction-networks differential-equations gillespie-algorithm julia ode quantitative-systems-pharmacology sbml sciml systems-biology
Created over 4 years ago · Last pushed 7 months ago
Metadata Files
Readme License Citation

README.md

SBMLToolkit

Join the chat at https://julialang.zulipchat.com #sciml-bridged Global Docs

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ColPrac: Contributor's Guide on Collaborative Practices for Community Packages SciML Code Style

SBMLToolkit.jl is a lightweight tool to import models specified in the Systems Biology Markup Language (SBML) into the Julia SciML ecosystem. There are multiple ways to specify the same model in SBML. Please help us improving SBMLToolkit.jl by creating a GitHub issue if you experience errors when converting your SBML model.

SBMLToolkit uses the SBML.jl wrapper of the libSBML library to lower dynamical SBML models into completed dynamical systems. If you would like to import BioNetGen models use the writeSBML() export function or import the .net file with ReactionNetworkImporters.jl. For constrained-based modeling, please have a look at COBREXA.jl. We also recommend trying SBMLImporter.jl. While SBMLToolkit.jl has a slightly cleaner interface, SBMLImporter.jl respects directionality of events, can output concentrations in addition to amounts, and provides better simulation performance for models including time-triggered events and SBML piecewise expressions.

If you are an experienced SBML user and interested if SBMLToolkit supports certain SBML test suite cases, you can download the logs from the latest CI run of the SBMLToolkitTestSuite.

Installation

To install SBMLToolkit.jl, use the Julia package manager:

julia using Pkg Pkg.add("SBMLToolkit")

Tutorial

SBML models can be simulated with the following steps (note that sol is in absolute quantities rather than concentrations):

```julia using SBMLToolkit, OrdinaryDiffEq

odesys = readSBML("my_model.xml", ODESystemImporter())

tspan = (0.0, 1.0) prob = ODEProblem(odesys, [], tspan, []) sol = solve(prob, Tsit5()) ```

While this imports an ODESystem directly, you can also import a Catalyst.jl ReactionSystem:

```julia using SBMLToolkit

rs = readSBML("my_model.xml", ReactionSystemImporter()) ```

One common case where this is useful is if you want to run stochastic instead of ODE simulations.

In the very unlikely case that you need fine-grained control over the SBML import, you can create an SBML.jl Model (we strongly recommend manually running checksupport_file("my_model.xml") before)

```julia using SBML

mdl = readSBML("mymodel.xml", doc -> begin setlevelandversion(3, 2)(doc) convertpromotelocalsexpandfuns(doc) end) ```

The conversion to SBML level 3 version 2 is necessary, because older versions are not well supported in SBMLToolkit. convert_promotelocals_expandfuns basically flattens the SBML before the import. Once you have obtained the Model, you can convert it to a ReactionSystem and ODESystem.

```julia using SBMLToolkit

rs = ReactionSystem(mdl) odesys = convert(ODESystem, rs) ```

License

The package is released under the MIT license.

Questions and comments

Please use GitHub issues and the #sciml-sysbio channel in the Julia Slack workspace with any questions or comments.

Citation

If you use SBMLToolkit.jl in your research, please cite this paper:

@article{lang_sbmltoolkitjl_2024, title = {{SBMLToolkit}.jl: a {Julia} package for importing {SBML} into the {SciML} ecosystem}, doi = {10.1515/jib-2024-0003}, journal = {Journal of Integrative Bioinformatics}, author = {Lang, Paul F. and Jain, Anand and Rackauckas, Christopher}, year = {2024}, }

Owner

  • Name: SciML Open Source Scientific Machine Learning
  • Login: SciML
  • Kind: organization
  • Email: contact@chrisrackauckas.com

Open source software for scientific machine learning

Citation (CITATION.cff)

# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!

cff-version: 1.2.0
title: SBMLToolkit.jl
message: >-
  If you use this software, please cite the preferred-citation in this file.
preferred-citation:
  type: article
  authors:
  - given-names: Paul
    name-particle: F
    family-names: Lang
    email: plang@deeporigin.com
    affiliation: Deep Origin
    orcid: 'https://orcid.org/0000-0002-6388-2405'
  - given-names: Anand
    family-names: Jain
  - given-names: Christopher
    family-names: Rackauckas
    orcid: 'https://orcid.org/0000-0001-5850-0663'
    affiliation: JuliaHub
  doi: "10.1515/jib-2024-0003"
  journal: "Journal of Integrative Bioinformatics"
  month: 5
  title: "SBMLToolkit.jl: a Julia package for importing SBML into the SciML ecosystem"
  year: 2024
  keywords:
    - systems biology markup language
    - SBML
    - Julia
    - scientific machine learning
  license: CC-BY-4.0
  repository-code: >-
    https://github.com/JuliaSmoothOptimizers/CaNNOLeS.jl
  abstract: >-
    Julia is a general purpose programming language that was
    designed for simplifying and accelerating numerical
    analysis and computational science. In particular the
    Scientific Machine Learning (SciML) ecosystem of Julia
    packages includes frameworks for high-performance
    symbolic-numeric computations. It allows users to
    automatically enhance high-level descriptions of their
    models with symbolic preprocessing and automatic
    sparsification and parallelization of computations. This
    enables performant solution of differential equations,
    efficient parameter estimation and methodologies for
    automated model discovery with neural differential
    equations and sparse identification of nonlinear dynamics.
    To give the systems biology community easy access to
    SciML, we developed SBMLToolkit.jl. SBMLToolkit.jl imports
    dynamic SBML models into the SciML ecosystem to accelerate
    model simulation and fitting of kinetic parameters. By
    providing computational systems biologists with easy
    access to the open-source Julia ecosystevnm, we hope to
    catalyze the development of further Julia tools in this
    domain and the growth of the Julia bioscience community.
    SBMLToolkit.jl is freely available under the MIT license.
    The source code is available at
    https://github.com/SciML/SBMLToolkit.jl.
type: software
authors:
  - given-names: Paul
    name-particle: F
    family-names: Lang
    affiliation: Deep Origin
    orcid: 'https://orcid.org/0000-0002-6388-2405'
  - given-names: Anand
    family-names: Jain
  - given-names: Christopher
    family-names: Rackauckas
    orcid: 'https://orcid.org/0000-0001-5850-0663'
    affiliation: JuliaHub
  - given-names: contributors
repository-code: 'https://github.com/SciML/SBMLToolkit.jl'
license: MIT

GitHub Events

Total
  • Create event: 13
  • Release event: 2
  • Issues event: 5
  • Watch event: 4
  • Delete event: 5
  • Issue comment event: 17
  • Push event: 34
  • Pull request review comment event: 1
  • Pull request review event: 3
  • Pull request event: 15
  • Fork event: 2
Last Year
  • Create event: 13
  • Release event: 2
  • Issues event: 5
  • Watch event: 4
  • Delete event: 5
  • Issue comment event: 17
  • Push event: 34
  • Pull request review comment event: 1
  • Pull request review event: 3
  • Pull request event: 15
  • Fork event: 2

Committers

Last synced: 8 months ago

All Time
  • Total Commits: 419
  • Total Committers: 18
  • Avg Commits per committer: 23.278
  • Development Distribution Score (DDS): 0.313
Past Year
  • Commits: 56
  • Committers: 7
  • Avg Commits per committer: 8.0
  • Development Distribution Score (DDS): 0.286
Top Committers
Name Email Commits
paulflang p****g@w****k 288
anand jain 3****n 30
paulflang p****g@j****m 25
Christopher Rackauckas a****s@c****m 23
Arno Strouwen a****n@t****e 15
dependabot[bot] 4****] 14
CompatHelper Julia c****y@j****g 6
Orestis Ousoultzoglou o****u@g****m 5
Anant Thazhemadam 4****m 2
github-actions[bot] 4****] 2
Sam Isaacson i****s 2
Aayush Sabharwal a****l@g****m 1
David Widmann d****n 1
Frames White o****x@u****u 1
Hendrik Ranocha m****l@r****e 1
= = 1
Sebastian Micluța-Câmpeanu m****5@g****m 1
Venkateshprasad v****k@g****m 1
Committer Domains (Top 20 + Academic)

Packages

  • Total packages: 1
  • Total downloads:
    • julia 13 total
  • Total dependent packages: 1
  • Total dependent repositories: 0
  • Total versions: 32
juliahub.com: SBMLToolkit

SBML differential equation and chemical reaction model (Gillespie simulations) for Julia's SciML ModelingToolkit

  • Versions: 32
  • Dependent Packages: 1
  • Dependent Repositories: 0
  • Downloads: 13 Total
Rankings
Dependent repos count: 9.9%
Average: 17.6%
Stargazers count: 17.9%
Forks count: 19.4%
Dependent packages count: 23.0%
Last synced: 6 months ago

Dependencies

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