SBMLToolkit
SBML differential equation and chemical reaction model (Gillespie simulations) for Julia's SciML ModelingToolkit
Science Score: 67.0%
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Repository
SBML differential equation and chemical reaction model (Gillespie simulations) for Julia's SciML ModelingToolkit
Basic Info
- Host: GitHub
- Owner: SciML
- License: mit
- Language: Julia
- Default Branch: main
- Homepage: https://docs.sciml.ai/SBMLToolkit/stable/
- Size: 2.57 MB
Statistics
- Stars: 44
- Watchers: 7
- Forks: 10
- Open Issues: 19
- Releases: 32
Topics
Metadata Files
README.md
SBMLToolkit
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
- Website: https://sciml.ai
- Twitter: SciML_Org
- Repositories: 170
- Profile: https://github.com/SciML
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
Top Committers
| Name | 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
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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
- Homepage: https://docs.sciml.ai/SBMLToolkit/stable/
- Documentation: https://docs.juliahub.com/General/SBMLToolkit/stable/
- License: MIT
-
Latest release: 0.1.31
published 10 months ago
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