Name | pasmopy JSON |
Version |
0.5.0
JSON |
| download |
home_page | |
Summary | Patient-Specific Modeling in Python |
upload_time | 2023-05-08 08:51:55 |
maintainer | |
docs_url | None |
author | Hiroaki Imoto |
requires_python | >=3.8 |
license | Apache-2.0 |
keywords |
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VCS |
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bugtrack_url |
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requirements |
No requirements were recorded.
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Travis-CI |
No Travis.
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<br>
<p align="center">
<a href="https://pasmopy.readthedocs.io/en/latest">
<img src="https://raw.githubusercontent.com/pasmopy/pasmopy/master/docs/_static/img/pasmopy-project-logo.png" width="400">
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**Pasmopy** is a scalable toolkit to identify prognostic factors for cancers based on intracellular signaling dynamics generated from personalized kinetic models. It is compatible with [biomass](https://github.com/biomass-dev/biomass) and offers the following features:
- Construction of mechanistic models from text
- Personalization of the model using transcriptome data
- Prediction of patient outcome based on _in silico_ signaling dynamics
- Sensitivity analysis for prediction of potential drug targets
## Documentation
Online documentation is available at https://pasmopy.readthedocs.io.
You can also build the documentation locally by running the following commands:
```shell
$ cd docs
$ make html
```
The site will live in `_build/html/index.html`.
## Installation
The latest stable release (and required dependencies) can be installed from [PyPI](https://pypi.python.org/pypi/pasmopy):
```
$ pip install pasmopy
```
Pasmopy requires Python 3.8+ to run.
## Example
### Building mathematical models of biochemical systems from text
This example shows you how to build a simple Michaelis-Menten two-step enzyme catalysis model with Pasmopy.
> E + S ⇄ ES → E + P
_An enzyme, E, binding to a substrate, S, to form a complex, ES, which in turn releases a product, P, regenerating the original enzyme._
```python
import os
from pasmopy import Text2Model, create_model, run_simulation
# Prepare a text file describing the biochemical reactions (e.g., `michaelis_menten.txt`)
reactions = """\
E + S ⇄ ES | kf=0.003, kr=0.001 | E=100, S=50
ES → E + P | kf=0.002
"""
observables = """
@obs Substrate: u[S]
@obs E_free: u[E]
@obs E_total: u[E] + u[ES]
@obs Product: u[P]
@obs Complex: u[ES]
"""
simulation_condition = """
@sim tspan: [0, 100]
"""
with open("michaelis_menten.txt", mode="w") as f:
f.writelines(reactions)
f.writelines(observables)
f.writelines(simulation_condition)
# Convert the text into an executable model
description = Text2Model("michaelis_menten.txt")
description.convert()
assert os.path.isdir("michaelis_menten")
# Run simulation
model = create_model("michaelis_menten")
run_simulation(model)
```
[![michaelis_menten](https://raw.githubusercontent.com/pasmopy/pasmopy/master/docs/_static/img/michaelis_menten_sim.png)](https://pasmopy.readthedocs.io/en/latest/model_development.html#michaelis-menten-enzyme-kinetics)
For more examples, please refer to the [Documentation](https://pasmopy.readthedocs.io/en/latest/).
### Personalized signaling models for cancer patient stratification
Using Pasmopy, we built a mechanistic model of ErbB receptor signaling network, trained with protein quantification data obtained from cultured cell lines, and performed _in silico_ simulation of the pathway activities on breast cancer patients using The Cancer Genome Atlas (TCGA) transcriptome datasets. The temporal activation dynamics of Akt, extracellular signal-regulated kinase (ERK), and c-Myc in each patient were able to accurately predict the difference in prognosis and sensitivity to kinase inhibitors in triple-negative breast cancer (TNBC).
For further details, please see https://pasmopy.readthedocs.io/en/latest/personalized_model.html.
## References
- Imoto, H., Yamashiro, S. & Okada, M. A text-based computational framework for patient -specific modeling for classification of cancers. _iScience_ **25**, 103944 (2022). https://doi.org/10.1016/j.isci.2022.103944
- Imoto, H., Yamashiro, S., Murakami, K. & Okada, M. Protocol for stratification of triple-negative breast cancer patients using _in silico_ signaling dynamics. _STAR Protocols_ **3**, 101619 (2022). https://doi.org/10.1016/j.xpro.2022.101619
## Author
[Hiroaki Imoto](https://github.com/himoto)
## License
[Apache License 2.0](https://github.com/pasmopy/pasmopy/blob/master/LICENSE)
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It is compatible with [biomass](https://github.com/biomass-dev/biomass) and offers the following features:\n\n- Construction of mechanistic models from text\n- Personalization of the model using transcriptome data\n- Prediction of patient outcome based on _in silico_ signaling dynamics\n- Sensitivity analysis for prediction of potential drug targets\n\n## Documentation\n\nOnline documentation is available at https://pasmopy.readthedocs.io.\n\nYou can also build the documentation locally by running the following commands:\n\n```shell\n$ cd docs\n$ make html\n```\n\nThe site will live in `_build/html/index.html`.\n\n## Installation\n\nThe latest stable release (and required dependencies) can be installed from [PyPI](https://pypi.python.org/pypi/pasmopy):\n\n```\n$ pip install pasmopy\n```\n\nPasmopy requires Python 3.8+ to run.\n\n## Example\n\n### Building mathematical models of biochemical systems from text\n\nThis example shows you how to build a simple Michaelis-Menten two-step enzyme catalysis model with Pasmopy.\n\n> E + S \u21c4 ES \u2192 E + P\n\n_An enzyme, E, binding to a substrate, S, to form a complex, ES, which in turn releases a product, P, regenerating the original enzyme._\n\n```python\nimport os\nfrom pasmopy import Text2Model, create_model, run_simulation\n\n# Prepare a text file describing the biochemical reactions (e.g., `michaelis_menten.txt`)\nreactions = \"\"\"\\\nE + S \u21c4 ES | kf=0.003, kr=0.001 | E=100, S=50\nES \u2192 E + P | kf=0.002\n\"\"\"\n\nobservables = \"\"\"\n@obs Substrate: u[S]\n@obs E_free: u[E]\n@obs E_total: u[E] + u[ES]\n@obs Product: u[P]\n@obs Complex: u[ES]\n\"\"\"\n\nsimulation_condition = \"\"\"\n@sim tspan: [0, 100]\n\"\"\"\n\nwith open(\"michaelis_menten.txt\", mode=\"w\") as f:\n f.writelines(reactions)\n f.writelines(observables)\n f.writelines(simulation_condition)\n\n# Convert the text into an executable model\ndescription = Text2Model(\"michaelis_menten.txt\")\ndescription.convert()\nassert os.path.isdir(\"michaelis_menten\")\n\n# Run simulation\nmodel = create_model(\"michaelis_menten\")\nrun_simulation(model)\n```\n\n[![michaelis_menten](https://raw.githubusercontent.com/pasmopy/pasmopy/master/docs/_static/img/michaelis_menten_sim.png)](https://pasmopy.readthedocs.io/en/latest/model_development.html#michaelis-menten-enzyme-kinetics)\n\nFor more examples, please refer to the [Documentation](https://pasmopy.readthedocs.io/en/latest/).\n\n### Personalized signaling models for cancer patient stratification\n\nUsing Pasmopy, we built a mechanistic model of ErbB receptor signaling network, trained with protein quantification data obtained from cultured cell lines, and performed _in silico_ simulation of the pathway activities on breast cancer patients using The Cancer Genome Atlas (TCGA) transcriptome datasets. The temporal activation dynamics of Akt, extracellular signal-regulated kinase (ERK), and c-Myc in each patient were able to accurately predict the difference in prognosis and sensitivity to kinase inhibitors in triple-negative breast cancer (TNBC).\n\nFor further details, please see https://pasmopy.readthedocs.io/en/latest/personalized_model.html.\n\n## References\n\n- Imoto, H., Yamashiro, S. & Okada, M. A text-based computational framework for patient -specific modeling for classification of cancers. _iScience_ **25**, 103944 (2022). https://doi.org/10.1016/j.isci.2022.103944\n\n- Imoto, H., Yamashiro, S., Murakami, K. & Okada, M. Protocol for stratification of triple-negative breast cancer patients using _in silico_ signaling dynamics. _STAR Protocols_ **3**, 101619 (2022). https://doi.org/10.1016/j.xpro.2022.101619\n\n## Author\n\n[Hiroaki Imoto](https://github.com/himoto)\n\n## License\n\n[Apache License 2.0](https://github.com/pasmopy/pasmopy/blob/master/LICENSE)\n",
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