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Generate PEtab yaml files for PEtab-dev/PEtab#183
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dweindl committed Dec 15, 2019
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parameter_file: parameters_Alkan_SciSignal2018.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Alkan_SciSignal2018.tsv
measurement_files:
- measurementData_Alkan_SciSignal2018.tsv
sbml_file: model_Alkan_SciSignal2018.xml
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parameter_file: parameters_Bachmann_MSB2011.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Bachmann_MSB2011.tsv
measurement_files:
- measurementData_Bachmann_MSB2011.tsv
sbml_file: model_Bachmann_MSB2011.xml
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parameter_file: parameters_Becker_Science2010.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Becker_Science2010.tsv
measurement_files:
- measurementData_Becker_Science2010.tsv
sbml_file: model_Becker_Science2010.xml
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parameter_file: parameters_Beer_MolBioSystems2014.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Beer_MolBioSystems2014.tsv
measurement_files:
- measurementData_Beer_MolBioSystems2014.tsv
sbml_file: model_Beer_MolBioSystems2014.xml
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parameter_file: parameters_Blasi_CellSystems2016.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Blasi_CellSystems2016.tsv
measurement_files:
- measurementData_Blasi_CellSystems2016.tsv
sbml_file: model_Blasi_CellSystems2016.xml
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parameter_file: parameters_Boehm_JProteomeRes2014.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Boehm_JProteomeRes2014.tsv
measurement_files:
- measurementData_Boehm_JProteomeRes2014.tsv
sbml_file: model_Boehm_JProteomeRes2014.xml
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parameter_file: parameters_Borghans_BiophysChem1997.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Borghans_BiophysChem1997.tsv
measurement_files:
- measurementData_Borghans_BiophysChem1997.tsv
sbml_file: model_Borghans_BiophysChem1997.xml
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parameter_file: parameters_Brannmark_JBC2010.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Brannmark_JBC2010.tsv
measurement_files:
- measurementData_Brannmark_JBC2010.tsv
sbml_file: model_Brannmark_JBC2010.xml
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parameter_file: parameters_Bruno_JExpBio2016.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Bruno_JExpBio2016.tsv
measurement_files:
- measurementData_Bruno_JExpBio2016.tsv
sbml_file: model_Bruno_JExpBio2016.xml
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parameter_file: parameters_Casaletto_PNAS2019.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Casaletto_PNAS2019.tsv
measurement_files:
- measurementData_Casaletto_PNAS2019.tsv
sbml_file: model_Casaletto_PNAS2019.xml
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parameter_file: parameters_Chen_MSB2009.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Chen_MSB2009.tsv
measurement_files:
- measurementData_Chen_MSB2009.tsv
sbml_file: model_Chen_MSB2009.xml
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parameter_file: parameters_Crauste_CellSystems2017.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Crauste_CellSystems2017.tsv
measurement_files:
- measurementData_Crauste_CellSystems2017.tsv
sbml_file: model_Crauste_CellSystems2017.xml
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parameter_file: parameters_Elowitz_Nature2000.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Elowitz_Nature2000.tsv
measurement_files:
- measurementData_Elowitz_Nature2000.tsv
sbml_file: model_Elowitz_Nature2000.xml
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parameter_file: parameters_Fiedler_BMC2016.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Fiedler_BMC2016.tsv
measurement_files:
- measurementData_Fiedler_BMC2016.tsv
sbml_file: model_Fiedler_BMC2016.xml
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parameter_file: parameters_Fujita_SciSignal2010.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Fujita_SciSignal2010.tsv
measurement_files:
- measurementData_Fujita_SciSignal2010.tsv
sbml_file: model_Fujita_SciSignal2010.xml
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parameter_file: parameters_Hass_PONE2017.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Hass_PONE2017.tsv
measurement_files:
- measurementData_Hass_PONE2017.tsv
sbml_file: model_Hass_PONE2017.xml
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parameter_file: parameters_Isensee_JCB2018.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Isensee_JCB2018.tsv
measurement_files:
- measurementData_Isensee_JCB2018.tsv
sbml_file: model_Isensee_JCB2018.xml
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parameter_file: parameters_Korkut_eLIFE2015.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Korkut_eLIFE2015.tsv
measurement_files:
- measurementData_Korkut_eLIFE2015.tsv
sbml_file: model_Korkut_eLIFE2015.xml
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parameter_file: parameters_Lucarelli_CellSystems2018.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Lucarelli_CellSystems2018.tsv
measurement_files:
- measurementData_Lucarelli_CellSystems2018.tsv
sbml_file: model_Lucarelli_CellSystems2018.xml
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parameter_file: parameters_Merkle_PCB2016.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Merkle_PCB2016.tsv
measurement_files:
- measurementData_Merkle_PCB2016.tsv
sbml_file: model_Merkle_PCB2016.xml
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parameter_file: parameters_Parmar_PCB2019.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Parmar_PCB2019.tsv
measurement_files:
- measurementData_Parmar_PCB2019.tsv
sbml_file: model_Parmar_PCB2019.xml
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parameter_file: parameters_Perelson_Science1996.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Perelson_Science1996.tsv
measurement_files:
- measurementData_Perelson_Science1996.tsv
sbml_file: model_Perelson_Science1996.xml
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parameter_file: parameters_Raia_CancerResearch2011.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Raia_CancerResearch2011.tsv
measurement_files:
- measurementData_Raia_CancerResearch2011.tsv
sbml_file: model_Raia_CancerResearch2011.xml
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parameter_file: parameters_Schwen_PONE2014.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Schwen_PONE2014.tsv
measurement_files:
- measurementData_Schwen_PONE2014.tsv
sbml_file: model_Schwen_PONE2014.xml
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parameter_file: parameters_Sneyd_PNAS2002.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Sneyd_PNAS2002.tsv
measurement_files:
- measurementData_Sneyd_PNAS2002.tsv
sbml_file: model_Sneyd_PNAS2002.xml
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parameter_file: parameters_Sobotta_Frontiers2017.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Sobotta_Frontiers2017.tsv
measurement_files:
- measurementData_Sobotta_Frontiers2017.tsv
sbml_file: model_Sobotta_Frontiers2017.xml
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parameter_file: parameters_Swameye_PNAS2003.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Swameye_PNAS2003.tsv
measurement_files:
- measurementData_Swameye_PNAS2003.tsv
sbml_file: model_Swameye_PNAS2003.xml
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parameter_file: parameters_Weber_BMC2015.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Weber_BMC2015.tsv
measurement_files:
- measurementData_Weber_BMC2015.tsv
sbml_file: model_Weber_BMC2015.xml
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parameter_file: parameters_Zheng_PNAS2012.tsv
petab_version: 0.0.0a17
problems:
- condition_file: experimentalCondition_Zheng_PNAS2012.tsv
measurement_files:
- measurementData_Zheng_PNAS2012.tsv
sbml_file: model_Zheng_PNAS2012.xml
51 changes: 51 additions & 0 deletions hackathon_contributions_new_data_format/create_petab_yaml.py
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#!/usr/bin/env python3

import os
import pandas as pd
import yaml
import petab


def create_petab_yaml(model_dir):
data = {
'petab_version': petab.__version__,
'parameter_file': petab.get_default_parameter_file_name(model_dir),
'problems': [
{
'sbml_file':
petab.get_default_sbml_file_name(model_dir),
'condition_file':
petab.get_default_condition_file_name(model_dir),
'measurement_files':
[
petab.get_default_measurement_file_name(model_dir),
],
},
]
}

petab.validate(data)

out_file = os.path.join(model_dir, f'{model_dir}.yaml')
print('git add ' + out_file)
with open(out_file, 'w') as outfile:
yaml.dump(data, outfile, default_flow_style=False)


def main():
model_list = os.scandir()
model_list = sorted(f.name for f in model_list if f.is_dir())

for benchmark_model in model_list:
print('# ', benchmark_model)
try:
create_petab_yaml(benchmark_model)
except ValueError as e:
print(e)

# print('='*100)
# break


if __name__ == '__main__':
main()

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