BioSimulators-GillesPy2

BioSimulators-compliant command-line interface and Docker image for the GillesPy2 simulation program.

This command-line interface and Docker image enable users to use GillesPy2 to execute COMBINE/OMEX archives that describe one or more simulation experiments (in SED-ML format) of one or more models (in SBML format).

A list of the algorithms and algorithm parameters supported by GillesPy2 is available at BioSimulators.

A simple web application and web service for using GillesPy2 to execute COMBINE/OMEX archives is also available at runBioSimulations.

Installation

Dependencies

Python >= 3.7
pip
build-essential

Install Python package

pip install biosimulators-gillespy2

Install Docker image

docker pull ghcr.io/biosimulators/gillespy2

Usage

Local usage

usage: biosimulators-gillespy2 [-h] [-d] [-q] -i ARCHIVE [-o OUT_DIR] [-v]

BioSimulators-compliant command-line interface to the GillesPy2 <https://stochss.github.io/GillesPy2> simulation program.

optional arguments:
  -h, --help            show this help message and exit
  -d, --debug           full application debug mode
  -q, --quiet           suppress all console output
  -i ARCHIVE, --archive ARCHIVE
                        Path to OMEX file which contains one or more SED-ML-
                        encoded simulation experiments
  -o OUT_DIR, --out-dir OUT_DIR
                        Directory to save outputs
  -v, --version         show program's version number and exit

Usage through Docker container

The entrypoint to the Docker image supports the same command-line interface described above.

For example, the following command could be used to use the Docker image to execute the COMBINE/OMEX archive ./modeling-study.omex and save its outputs to ./.

docker run \
  --tty \
  --rm \
  --mount type=bind,source="$(pwd)",target=/root/in,readonly \
  --mount type=bind,source="$(pwd)",target=/root/out \
  ghcr.io/biosimulators/gillespy2:latest \
    -i /root/in/modeling-study.omex \
    -o /root/out

Documentation

Documentation is available at https://docs.biosimulators.org/Biosimulators_GillesPy2/.

License

This package is released under the MIT.

Development team

This package was developed by the Karr Lab at the Icahn School of Medicine at Mount Sinai and the Center for Reproducible Biomedical Modeling with assistance from the contributors listed here.

Questions and comments

Please contact the BioSimulators Team with any questions or comments.

Metadata

Release files for biosimulators-gillespy2 0.1.37

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for biosimulators-gillespy2 0.1.37
File	Size	Uploaded
biosimulators_gillespy2-0.1.37.tar.gz	12.6 kB	Feb 25, 2022	Details

Built distribution (wheel)

Table of built distributions (wheels) for biosimulators-gillespy2 0.1.37
File	Interpreter	ABI	Platform	Reset
biosimulators_gillespy2-0.1.37-py2.py3-none-any.whl 12.0 kB Feb 25, 2022	Python 3, Python 2	none	any	Details

Total release size: 24.6 kB

Release files / biosimulators_gillespy2-0.1.37.tar.gz

Download URL	biosimulators_gillespy2-0.1.37.tar.gz
Size	12.6 kB
Tags	Source
SHA-256 checksum How to use checksums	`54b3c434200116f12e2fe7b0af550e3bbb5f7abcc1181d57a808a56803a6f87f`
BLAKE2b-256 checksum How to use checksums	`37de076be7a210170c7c01ce5c245ae1c71db50f41992e69e16a06868d64a70f`
Upload date	Feb 25, 2022
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/3.8.0 pkginfo/1.8.2 readme-renderer/32.0 requests/2.27.1 requests-toolbelt/0.9.1 urllib3/1.26.8 tqdm/4.62.3 importlib-metadata/4.11.1 keyring/23.5.0 rfc3986/2.0.0 colorama/0.4.4 CPython/3.9.10`

Release files / biosimulators_gillespy2-0.1.37-py2.py3-none-any.whl

Download URL	biosimulators_gillespy2-0.1.37-py2.py3-none-any.whl
Size	12.0 kB
Tags	Python 2 Python 3
SHA-256 checksum How to use checksums	`3213ea2954fe4576326fc057f039979284bd43b7bd2d4fb58de42ee691db74a7`
BLAKE2b-256 checksum How to use checksums	`e6ec7af7c25b2cacf7aabbf84271e95221824dd0059e282d16326a313a180e88`
Upload date	Feb 25, 2022
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/3.8.0 pkginfo/1.8.2 readme-renderer/32.0 requests/2.27.1 requests-toolbelt/0.9.1 urllib3/1.26.8 tqdm/4.62.3 importlib-metadata/4.11.1 keyring/23.5.0 rfc3986/2.0.0 colorama/0.4.4 CPython/3.9.10`