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https://github.com/biosimulators/biosimulators_copasi

COPASI biochemical network simulation program via BioSimulators-compliant command-line interface and Docker container
https://github.com/biosimulators/biosimulators_copasi

biochemical-networks biosimulators combine-archive computational-biology copasi docker dynamical-modeling omex-metadata python sbml sed-ml simulation systems-biology

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COPASI biochemical network simulation program via BioSimulators-compliant command-line interface and Docker container

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# BioSimulators-COPASI
BioSimulators-compliant command-line interface and Docker image for the [COPASI](http://copasi.org/) simulation program.

This command-line interface and Docker image enable users to use COPASI to execute [COMBINE/OMEX archives](https://combinearchive.org/) that describe one or more simulation experiments (in [SED-ML format](https://sed-ml.org)) of one or more models (in [SBML format](http://sbml.org])).

A list of the algorithms and algorithm parameters supported by COPASI is available at [BioSimulators](https://biosimulators.org/simulators/copasi).

A simple web application and web service for using COPASI to execute COMBINE/OMEX archives is also available at [runBioSimulations](https://run.biosimulations.org).

## Installation

### Install Python package
```
pip install biosimulators-copasi
```

### Install Docker image
```
docker pull ghcr.io/biosimulators/copasi
```

## Usage

### Local usage
```
usage: biosimulators-copasi [-h] [-d] [-q] -i ARCHIVE [-o OUT_DIR] [-v]

BioSimulators-compliant command-line interface to the COPASI 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/copasi:latest \
-i /root/in/modeling-study.omex \
-o /root/out
```

## Documentation
Documentation is available at https://docs.biosimulators.org/Biosimulators_COPASI/.

## License
This package is released under the [MIT license](LICENSE). COPASI is released under the [Artistic 2.0 License](http://copasi.org/Download/License/).

## Development team
This package was developed by the [Center for Reproducible Biomedical Modeling](http://reproduciblebiomodels.org). COPASI was developed by a [team](http://copasi.org/About/Team/) at the University of Connecticut, the University of Heidelberg, and the University of Virginia with assistance from the contributors listed [here](CONTRIBUTORS.md).

## Questions and comments
Please contact the [BioSimulators Team](mailto:info@biosimulators.org) with any questions or comments.