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Remove non-package-related files, update links (#41)
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Remove everything that is not related to the petab Python package. Closes #39 

Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com>
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dweindl and yannikschaelte authored Mar 19, 2021
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20 changes: 0 additions & 20 deletions .github/ISSUE_TEMPLATE/petab-specification-changes.md

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2 changes: 1 addition & 1 deletion .github/workflows/ci_tests.yml
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runs-on: ubuntu-latest
strategy:
matrix:
python-version: [3.8]
python-version: [3.7, 3.8, 3.9]

steps:
- name: Check out repository
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22 changes: 2 additions & 20 deletions CONTRIBUTING.md
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# PEtab contribution guide
# petab contribution guide

We are happy about contributions to PEtab of any form.

This includes, but is not limited to:

* Extending / improving
[documentation and examples](https://petab.readthedocs.io/en/latest/)
* New library functionality
* Additional
[PEtab application examples](https://github.com/Benchmarking-Initiative/Benchmark-Models-PEtab)
* Additional minimal
[PEtab test cases](https://github.com/PEtab-dev/petab_test_suite)


## Extending PEtab

We are aware of the fact that PEtab may not serve everybody's needs. If you
have a suggestion of how to extend PEtab, feel free to post an
[issue](https://github.com/PEtab-dev/PEtab/issues) at our GitHub repository.


## Contributions to this repository

General:
Expand All @@ -38,7 +20,7 @@ To contribute to this repository:

*By creating a pull request you agree with your contribution being made
available under the license terms specified in
[https://github.com/PEtab-dev/PEtab/blob/master/LICENSE](https://github.com/PEtab-dev/PEtab/blob/master/LICENSE).*
[https://github.com/PEtab-dev/libpetab-python/blob/master/LICENSE](https://github.com/PEtab-dev/libpetab-python/blob/master/LICENSE).*

* Assign a reviewer, or let us know otherwise, that your pull request is ready
for review.
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2 changes: 1 addition & 1 deletion LICENSE
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MIT License

Copyright (c) 2018 Data-driven Computational Modelling
Copyright (c) 2018 petab package developers

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
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![CI tests](https://github.com/PEtab-dev/PEtab/workflows/CI%20tests/badge.svg)
[![Codacy Badge](https://api.codacy.com/project/badge/Grade/fd7dd5cee68e449983be5c43f230c7f3)](https://www.codacy.com/gh/PEtab-dev/PEtab?utm_source=github.com&amp;utm_medium=referral&amp;utm_content=PEtab-dev/PEtab&amp;utm_campaign=Badge_Grade)
[![codecov](https://codecov.io/gh/PEtab-dev/PEtab/branch/master/graph/badge.svg)](https://codecov.io/gh/PEtab-dev/PEtab)
![CI tests](https://github.com/PEtab-dev/libpetab-python/workflows/CI%20tests/badge.svg)
[![Codacy Badge](https://api.codacy.com/project/badge/Grade/fd7dd5cee68e449983be5c43f230c7f3)](https://www.codacy.com/gh/PEtab-dev/libpetab-python)
[![codecov](https://codecov.io/gh/PEtab-dev/libpetab-python/branch/master/graph/badge.svg)](https://codecov.io/gh/PEtab-dev/libpetab-python)
[![PyPI version](https://badge.fury.io/py/petab.svg)](https://badge.fury.io/py/petab)

# PEtab -- a data format for specifying parameter estimation problems in systems biology
# petab - a Python package for handling PEtab files

![Logo](doc/logo/PEtab.png)

*PEtab* is a data format for specifying parameter estimation problems in systems biology.
This repository provides extensive documentation and a Python library for easy
access and validation of *PEtab* files.

## About PEtab

PEtab is built around [SBML](http://sbml.org/) and based on tab-separated values
(TSV) files. It is meant as a standardized way to provide information for
parameter estimation, which is out of the current scope of SBML. This includes
for example:

- Specifying and linking measurements to models

- Defining model outputs

- Specifying noise models

- Specifying parameter bounds for optimization

- Specifying multiple simulation condition with potentially shared parameters

![PEtab files](doc/gfx/petab_files.png)
[PEtab](https://petab.readthedocs.io/) is a data format for specifying
parameter estimation problems in systems biology. This repository provides
the `petab` Python package for reading, writing and validating PEtab files.

## Documentation

Documentation of the PEtab data format and Python library is available at
Documentation of the `petab` Python package is available at
[https://libpetab-python.readthedocs.io/en/latest/](https://libpetab-python.readthedocs.io/en/latest/).
Documentation of the PEtab format in general is available at
[https://petab.readthedocs.io/en/latest/](https://petab.readthedocs.io/en/latest/).

## Examples

A wide range of PEtab examples can be found in the systems biology parameter estimation
[benchmark problem collection](https://github.com/Benchmarking-Initiative/Benchmark-Models-PEtab).


## PEtab support in systems biology tools

Where PEtab is supported (in alphabetical order):


- [AMICI](https://github.com/ICB-DCM/AMICI/)
([Example](https://github.com/ICB-DCM/AMICI/blob/master/python/examples/example_petab/petab.ipynb))

- A PEtab -> [COPASI](http://copasi.org/)
[converter](https://github.com/copasi/python-petab-importer)

- [d2d](https://github.com/Data2Dynamics/d2d/)
([HOWTO](https://github.com/Data2Dynamics/d2d/wiki/Support-for-PEtab))

- [dMod](https://github.com/dkaschek/dMod/)
([HOWTO](https://github.com/dkaschek/dMod/wiki/Support-for-PEtab))

- [MEIGO](https://github.com/gingproc-IIM-CSIC/MEIGO64)
([HOWTO](https://github.com/gingproc-IIM-CSIC/MEIGO64/tree/master/MEIGO/PEtabMEIGO))

- [parPE](https://github.com/ICB-DCM/parPE/)
## Installation

- [pyABC](https://github.com/ICB-DCM/pyABC/) ([Example](https://pyabc.readthedocs.io/en/latest/examples/petab.html))

- [pyPESTO](https://github.com/ICB-DCM/pyPESTO/)
([Example](https://pypesto.readthedocs.io/en/latest/example/petab_import.html))

- [SBML2Julia](https://github.com/paulflang/SBML2Julia)
([Tutorial](https://sbml2julia.readthedocs.io/en/latest/python_api.html))

If your project or tool is using PEtab, and you would like to have it listed
here, please [let us know](https://github.com/PEtab-dev/PEtab/issues).

### PEtab features supported in different tools

The following list provides an overview of supported PEtab features in
different tools, based on passed test cases of the
[PEtab test suite](https://github.com/PEtab-dev/petab_test_suite):


| ID | Test | AMICI<br>`>=0.10.20` | Copasi | D2D | dMod | MEIGO | parPE<br>`develop` | pyABC<br>`>=0.10.1` | pyPESTO<br>`>=0.0.11` | SBML2Julia |
|----|----------------------------------------------------------------|----------------------|--------|-----|------|-------|-----------------------|-------|------------------------|------------|
| 1 | Basic simulation | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 2 | Multiple simulation conditions | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 3 | Numeric observable parameter overrides in measurement table | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 4 | Parametric observable parameter overrides in measurement table | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 5 | Parametric overrides in condition table | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 6 | Time-point specific overrides in the measurement table | --- | --- | +++ | +++ | +++ | --- | --- | --- | +++ |
| 7 | Observable transformations to log10 scale | +-+ | +-- | +++ | ++- | +++ | --+ | +-+ | +-+ | +++ |
| 8 | Replicate measurements | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 9 | Pre-equilibration | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 10 | Partial pre-equilibration | +++ | --- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 11 | Numeric initial concentration in condition table | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 12 | Numeric initial compartment sizes in condition table | --- | +-- | +++ | +++ | +++ | --- | --- | --- | +++ |
| 13 | Parametric initial concentrations in condition table | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 14 | Numeric noise parameter overrides in measurement table | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 15 | Parametric noise parameter overrides in measurement table | +++ | +-- | +++ | +++ | +++ | --+ | +++ | +++ | +++ |
| 16 | Observable transformations to log scale | +-+ | +-- | +++ | ++- | +++ | --+ | +-+ | +-+ | +++ |

Legend:
* First character indicates whether computing simulated data is supported and simulations are correct (+) or not (-).
* Second character indicates whether computing chi2 values of residuals are supported and correct (+) or not (-).
* Third character indicates whether computing likelihoods is supported and correct (+) or not (-).

## Using PEtab

If you would like to use PEtab yourself, please have a look at:

* [a PEtab tutorial](https://petab.readthedocs.io/en/latest/tutorial.html)
going through the individual steps of setting up a parameter estimation
problem in PEtab, independently of any specific software
* [the PEtab format reference](https://petab.readthedocs.io/en/stable/documentation_data_format.html)
* the example models provided in the
[benchmark collection](https://github.com/Benchmarking-Initiative/Benchmark-Models-PEtab).
* the tutorials provided with each of the softwares supporting PEtab

To convert your existing parameter estimation problem to the PEtab format, you
will have to:

1. Specify your model in SBML.

1. Create a condition table.

1. Create a table of observables.

1. Create a table of measurements.

1. Create a parameter table.

If you are using Python, some handy functions of the
[PEtab library](https://petab.readthedocs.io/en/latest/modules.html) can help
you with that. This include also a PEtab validator called `petablint` which
you can use to check if your files adhere to the PEtab standard. If you have
further questions regarding PEtab, feel free to post an
[issue](https://github.com/PEtab-dev/PEtab/issues) at our github repository.

## PEtab Python library

PEtab comes with a Python package for creating, checking, visualizing and
working with PEtab files. This library is available on
[pypi](https://pypi.org/project/petab/) and the easiest way to install
it is running
The PEtab library is available on [pypi](https://pypi.org/project/petab/)
and the easiest way to install it is running

pip3 install petab

It will require Python>=3.7.1 to run.

Development versions of the PEtab library can be installed using

pip3 install https://github.com/PEtab-dev/PEtab/archive/develop.zip
pip3 install https://github.com/PEtab-dev/libpetab-python/archive/develop.zip

(replace `develop` by the branch or commit you would like to install).

Expand All @@ -168,20 +45,20 @@ be:
- `petab.create_combine_archive` to create a
[COMBINE Archive](https://combinearchive.org/index/) from PEtab files

### Library examples
## Examples

Examples for PEtab Python library usage:

* [Validation](https://github.com/PEtab-dev/PEtab/blob/master/doc/example/example_petablint.ipynb)
* [Visualization](https://github.com/PEtab-dev/PEtab/blob/master/doc/example/example_visualization.ipynb)
* [Validation](https://github.com/PEtab-dev/libpetab-python/blob/master/doc/example/example_petablint.ipynb)
* [Visualization](https://github.com/PEtab-dev/libpetab-python/blob/master/doc/example/example_visualization.ipynb)


## Getting help

If you have any question or problems with PEtab, feel free to post them at
our GitHub [issue tracker](https://github.com/PEtab-dev/PEtab/issues/).
If you have any question or problems with this package, feel free to post them
at our GitHub [issue tracker](https://github.com/PEtab-dev/libpetab-python/issues/).

## Contributing to PEtab
## Contributing

Contributions and feedback to PEtab are very welcome, see our
Contributions and feedback to this package are very welcome, see our
[contribution guide](CONTRIBUTING.md).
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8 changes: 4 additions & 4 deletions doc/conf.py
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# -- Project information -----------------------------------------------------

project = 'PEtab'
copyright = '2019, Daniel Weindl, Yannik Schälte, Dantong Wang, Carolin Loos, Jan Hasenauer, Paul Stapor, Elba Raimúndez Álvarez, Erika Dudkin, Charles Tapley Hoyt, Fabian Fröhlich'
author = 'Daniel Weindl, Yannik Schälte, Dantong Wang, Carolin Loos, Jan Hasenauer, Paul Stapor, Elba Raimúndez Álvarez, Erika Dudkin, Charles Tapley Hoyt, Fabian Fröhlich'
copyright = '2018-2021, the PEtab developers'
author = 'PEtab developers'

# The full version, including alpha/beta/rc tags
release = 'latest'
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html_context = {
"display_github": True,
"github_user": "ICB-DCM",
"github_repo": "petab",
"github_user": "petab-dev",
"github_repo": "libpetab-python",
"github_version": "develop",
"conf_py_path": "/doc",
}
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