|
7 | 7 | [](https://img.shields.io/github/license/virtualcell/pyvcell) |
8 | 8 | [](https://colab.research.google.com/drive/101BPDYqu4_PupqmunT6Qhextks_VT-8X?usp=sharing) |
9 | 9 |
|
10 | | -This is the python wrapper for vcell modeling and simulation |
| 10 | +This is the python wrapper for vcell modeling and simulation for |
11 | 11 |
|
12 | | -- **Github repository**: <https://github.com/virtualcell/pyvcell/> |
13 | | -- **Documentation** <https://virtualcell.github.io/pyvcell/> |
| 12 | +1. local scripting of spatial modeling, simulation, data analysis and visualization workflows using Virtual Cell technology |
| 13 | +2. access to Virtual Cell remote APIs - with public access or as an authenticated Virtual Cell user. |
14 | 14 |
|
15 | | -## Getting started with your project |
| 15 | +## Local simulation, analysis and visualization with pyvcell |
16 | 16 |
|
17 | | -First, create a repository on GitHub with the same name as this project, and then run the following commands: |
| 17 | +### download or create new spatial models |
18 | 18 |
|
19 | | -```bash |
20 | | -git init -b main |
21 | | -git add . |
22 | | -git commit -m "init commit" |
23 | | -git remote add origin git@github.com:virtualcell/pyvcell.git |
24 | | -git push -u origin main |
25 | | -``` |
| 19 | +- load/save VCML (Virtual Cell’s native format - import/export to VCell UI) |
| 20 | +- load/save SBML (Systems Biology Markup Language) |
| 21 | +- load from Antimony (friendly textual language for SBML) |
| 22 | +- create/edit any VCML object (e.g. species, model, geometry) programmatically |
26 | 23 |
|
27 | | -Finally, install the environment and the pre-commit hooks with |
| 24 | +### local editing with Python objects |
28 | 25 |
|
29 | | -```bash |
30 | | -make install |
31 | | -``` |
| 26 | +- edit parameters. add/remove/edit species, compartments, reactions, initial conditions, diffusion coefficients |
| 27 | +- create/edit geometry objects, create/edit vcell applications and simulations |
| 28 | + |
| 29 | +### run local simulations |
| 30 | + |
| 31 | +- run local spatial simulations (for reactions, diffusion, and advection) stored in local workspace. |
| 32 | + |
| 33 | +### analyze local simulation result: |
32 | 34 |
|
33 | | -You are now ready to start development on your project! |
34 | | -The CI/CD pipeline will be triggered when you open a pull request, merge to main, or when you create a new release. |
| 35 | +- Time-series summary statistics available as NumPy arrays. |
| 36 | +- spatiotemporal arrays stored as Zarr datastores and available as NumPy arrays. |
| 37 | +- 3D mesh data using VTK unstructured grids, analyzed with VTK |
35 | 38 |
|
36 | | -To finalize the set-up for publishing to PyPi or Artifactory, see [here](https://fpgmaas.github.io/cookiecutter-poetry/features/publishing/#set-up-for-pypi). |
37 | | -For activating the automatic documentation with MkDocs, see [here](https://fpgmaas.github.io/cookiecutter-poetry/features/mkdocs/#enabling-the-documentation-on-github). |
38 | | -To enable the code coverage reports, see [here](https://fpgmaas.github.io/cookiecutter-poetry/features/codecov/). |
| 39 | +### local visualization |
39 | 40 |
|
40 | | -## Releasing a new version |
| 41 | +- built-in plotting and 3D visualization via Matplotlib and VTK/PyVista |
| 42 | +- make your own plots or 3D renderings. |
41 | 43 |
|
42 | | -- Create an API Token on [Pypi](https://pypi.org/). |
43 | | -- Add the API Token to your projects secrets with the name `PYPI_TOKEN` by visiting [this page](https://github.com/virtualcell/pyvcell/settings/secrets/actions/new). |
44 | | -- Create a [new release](https://github.com/virtualcell/pyvcell/releases/new) on Github. |
45 | | -- Create a new tag in the form `*.*.*`. |
| 44 | +# installation |
46 | 45 |
|
47 | | -For more details, see [here](https://fpgmaas.github.io/cookiecutter-poetry/features/cicd/#how-to-trigger-a-release). |
| 46 | +The easiest way to install pyvcell is by using the Python Package Index and pip. |
| 47 | +We highly recommend setting up a virtual environment for dependency management. |
| 48 | +Run the following command to install pyvcell from PyPI |
| 49 | + |
| 50 | +```shell |
| 51 | +pip install pyvcell |
| 52 | +``` |
| 53 | + |
| 54 | +# Usage |
| 55 | + |
| 56 | +```python |
| 57 | +import pyvcell.vcml as vc |
| 58 | +biomodel = vc.load_vcml_file('path/to/your/model.vcml') |
| 59 | +results = vc.simulate(biomodel, "sim1") |
| 60 | +results.plotter.plot_concentrations() |
| 61 | +``` |
48 | 62 |
|
49 | | ---- |
| 63 | +# Documentation |
50 | 64 |
|
51 | | -Repository initiated with [fpgmaas/cookiecutter-poetry](https://github.com/fpgmaas/cookiecutter-poetry). |
| 65 | +coming soon. |
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