pasmopy

Patient-Specific Modeling in Python

https://github.com/pasmopy/pasmopy

Science Score: 67.0%

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  • CITATION.cff file
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  • codemeta.json file
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  • DOI references
    Found 6 DOI reference(s) in README
  • Academic publication links
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    1 of 6 committers (16.7%) from academic institutions
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    Low similarity (18.6%) to scientific vocabulary

Keywords

biochemical-networks cancer computational-biology digital-twin in-silico-clinical-trial kinetic-modeling patient-specific-modeling personalized-medicine precision-medicine precision-oncology python systems-biology systems-biology-simulation
Last synced: 6 months ago · JSON representation ·

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Patient-Specific Modeling in Python

Basic Info
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Topics
biochemical-networks cancer computational-biology digital-twin in-silico-clinical-trial kinetic-modeling patient-specific-modeling personalized-medicine precision-medicine precision-oncology python systems-biology systems-biology-simulation
Created about 5 years ago · Last pushed 8 months ago
Metadata Files
Readme License Code of conduct Citation

README.md


PyPI version Actions Status Documentation Status License Downloads PyPI pyversions pre-commit.ci status Code style: black Imports: isort iScience Paper

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 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:

$ 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, createmodel, runsimulation

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 Efree: u[E] @obs Etotal: u[E] + u[ES] @obs Product: u[P] @obs Complex: u[ES] """

simulation_condition = """ @sim tspan: [0, 100] """

with open("michaelismenten.txt", mode="w") as f: f.writelines(reactions) f.writelines(observables) f.writelines(simulationcondition)

Convert the text into an executable model

description = Text2Model("michaelismenten.txt") description.convert() assert os.path.isdir("michaelismenten")

Run simulation

model = createmodel("michaelismenten") run_simulation(model) ```

michaelis_menten

For more examples, please refer to the Documentation.

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

License

Apache License 2.0

Owner

  • Name: Pasmopy
  • Login: pasmopy
  • Kind: organization

Using patient-specific in silico model to pave the way for personalized treatments.

Citation (CITATION.cff)

cff-version: 1.2.0
message: "If you use Pasmopy in a scientific publication, please cite the following paper:"
preferred-citation:
  type: article
  authors:
  - family-names: "Imoto"
    given-names: "Hiroaki"
    orcid: "https://orcid.org/0000-0002-6817-642X"
  - family-names: "Yamashiro"
    given-names: "Sawa"
    orcid: "https://orcid.org/0000-0001-8889-6398"
  - family-names: "Okada"
    given-names: "Mariko"
    orcid: "https://orcid.org/0000-0002-6210-8223"
  doi: "10.1016/j.isci.2022.103944"
  journal: "iScience"
  title: "A text-based computational framework for patient -specific modeling for classification of cancers"
  issue: 3
  volume: 25
  start: 103944
  end: 103944
  year: 2022
  url: "https://www.cell.com/iscience/fulltext/S2589-0042(22)00214-0"

GitHub Events

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Last Year
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Committers

Last synced: almost 3 years ago

All Time
  • Total Commits: 305
  • Total Committers: 6
  • Avg Commits per committer: 50.833
  • Development Distribution Score (DDS): 0.213
Top Committers
Name Email Commits
himoto 3****o@u****m 240
Hiroaki Imoto h****o@p****p 48
pre-commit-ci[bot] 6****]@u****m 9
Hiroaki Imoto h****o@u****e 5
Johannes Nicolaus j****s@g****m 2
lgtm-com[bot] 4****]@u****m 1
Committer Domains (Top 20 + Academic)

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 0
  • Total pull requests: 1
  • Average time to close issues: N/A
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  • Total issue authors: 0
  • Total pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 0.0
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  • Bot pull requests: 1
Past Year
  • Issues: 0
  • Pull requests: 1
  • Average time to close issues: N/A
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  • Average comments per issue: 0
  • Average comments per pull request: 0.0
  • Merged pull requests: 0
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Top Authors
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  • himoto (1)
Pull Request Authors
  • himoto (4)
  • pre-commit-ci[bot] (3)
Top Labels
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bug (1) documentation (1)
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documentation (2)

Packages

  • Total packages: 1
  • Total downloads:
    • pypi 86 last-month
  • Total dependent packages: 0
  • Total dependent repositories: 1
  • Total versions: 20
  • Total maintainers: 1
pypi.org: pasmopy

Patient-Specific Modeling in Python

  • Versions: 20
  • Dependent Packages: 0
  • Dependent Repositories: 1
  • Downloads: 86 Last month
Rankings
Dependent packages count: 10.1%
Average: 17.0%
Downloads: 19.3%
Dependent repos count: 21.6%
Maintainers (1)
Last synced: 6 months ago

Dependencies

.github/workflows/build.yml actions
  • actions/checkout v3 composite
  • actions/setup-python v4 composite
.github/workflows/codeql.yml actions
  • actions/checkout v3 composite
  • github/codeql-action/analyze v2 composite
  • github/codeql-action/autobuild v2 composite
  • github/codeql-action/init v2 composite
.github/workflows/pypi-publish.yml actions
  • actions/checkout v2 composite
  • actions/setup-python v2 composite
pyproject.toml pypi
  • biomass >=0.10
  • numpy >=1.17
  • pandas >=0.24
  • scipy >=1.6
  • seaborn >=0.11.2
  • tqdm >=4.50.2