Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Add tutorial for creating PEtab files #488

Merged
merged 23 commits into from
Nov 17, 2020
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
13 changes: 9 additions & 4 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -107,10 +107,15 @@ Legend:

## Using PEtab

If you would like to use PEtab yourself, please have a look at
[doc/documentation_data_format.rst](doc/documentation_data_format.rst) or at
the example models provided in the
[benchmark collection](https:/Benchmarking-Initiative/Benchmark-Models-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:/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:
Expand Down
9 changes: 9 additions & 0 deletions doc/compile_tutorial.sh
Original file line number Diff line number Diff line change
@@ -0,0 +1,9 @@
#!/bin/sh

# Build a pdflatex document from the tutorial

pandoc tutorial.rst \
-o tutorial.pdf \
-V geometry:margin=1.5in -V geometry:a4paper -V fontsize=10pt \
--toc \
--pdf-engine pdflatex
Binary file added doc/gfx/copasi_simulation.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added doc/gfx/tutorial_data.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added doc/gfx/tutorial_model.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
1 change: 1 addition & 0 deletions doc/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@
:caption: Data format

Data format <documentation_data_format.rst>
tutorial

.. toctree::
:maxdepth: 3
Expand Down
418 changes: 418 additions & 0 deletions doc/tutorial.rst

Large diffs are not rendered by default.

13 changes: 13 additions & 0 deletions doc/tutorial/Boehm_JProteomeRes2014.yaml
Original file line number Diff line number Diff line change
@@ -0,0 +1,13 @@
format_version: 1
parameter_file: parameters.tsv
problems:
- condition_files:
- experimental_conditions.tsv
measurement_files:
- measurement_data.tsv
observable_files:
- observables.tsv
sbml_files:
- model_Boehm_JProteomeRes2014.xml
visualization_files:
- visualization_specification.tsv
2 changes: 2 additions & 0 deletions doc/tutorial/experimental_conditions.tsv
Original file line number Diff line number Diff line change
@@ -0,0 +1,2 @@
conditionId conditionName Epo_concentration
epo_stimulation condition1 1.25E-07
49 changes: 49 additions & 0 deletions doc/tutorial/measurement_data.tsv
Original file line number Diff line number Diff line change
@@ -0,0 +1,49 @@
observableId simulationConditionId measurement time noiseParameters
pSTAT5A_rel epo_stimulation 7.901072999 0 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 66.36349397 2.5 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 81.17132392 5 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 94.73030806 10 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 95.11648305 15 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 91.44171655 20 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 91.25709923 30 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 93.67229784 40 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 88.75423282 50 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 85.26970322 60 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 81.13239534 80 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 76.13592848 100 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 65.24805913 120 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 42.59965871 160 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 25.15779754 200 sd_pSTAT5A_rel
pSTAT5A_rel epo_stimulation 15.4301824 240 sd_pSTAT5A_rel
pSTAT5B_rel epo_stimulation 4.596533343 0 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 29.63454599 2.5 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 46.04380647 5 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 81.97473362 10 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 80.5716093 15 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 79.03571964 20 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 75.67238037 30 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 71.62471986 40 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 69.06286328 50 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 67.14738432 60 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 60.89947629 80 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 54.80925777 100 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 43.98128998 120 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 29.77145816 160 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 20.08901656 200 sd_pSTAT5B_rel
pSTAT5B_rel epo_stimulation 10.96184517 240 sd_pSTAT5B_rel
rSTAT5A_rel epo_stimulation 14.72316822 0 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 33.76234229 2.5 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 36.79985129 5 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 49.71760229 10 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 46.9281201 15 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 47.83657456 20 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 46.92872725 30 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 40.59775294 40 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 43.78366389 50 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 44.45738765 60 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 41.32715926 80 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 41.06273321 100 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 39.23583003 120 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 36.61946054 160 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 34.8937144 200 sd_rSTAT5A_rel
rSTAT5A_rel epo_stimulation 32.21107716 240 sd_rSTAT5A_rel
Loading