pycse - Python computations in science and engineering
If you want to cite this project, use this doi:10.5281/zenodo.19111.
@misc{john_kitchin_2015_19111,
author = {John R. Kitchin},
title = {pycse: First release},
month = jun,
year = 2015,
doi = {10.5281/zenodo.19111},
url = {https://doi.org/10.5281/zenodo.19111}
}
This git repository hosts my notes on using python in scientific and engineering calculations. The aim is to collect examples that span the types of computation/calculations scientists and engineers typically do to demonstrate the utility of python as a computational platform in engineering education.
Installation
You may want to install the python library with pycse:
pip install pycse
Feeling brave? You can install the cutting edge from GitHub:
pip install git+https://github.com/jkitchin/pycse
Docker
You can use a Docker image to run everything here. You have to have Docker installed and working on your system.
See docker/ for the setup used.
Option 1
I provide a pycse command-line utility that is installed with the package. Simply run pycse in a shell in the directory you want to start Jupyter lab in. When done, type C-c in the shell to quit, and it should be good.
Option 2
You can manually pull the image:
docker pull jkitchin/pycse:latest
Then, run the docker/pycse.sh script. This script mounts the current working directory, and takes care of choosing a random port.
Documentation
See https://kitchingroup.cheme.cmu.edu/pycse/docs/pycse.html for the Python documentation.
Metadata
Release files for pycse 2.12.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| pycse-2.12.0.tar.gz | 18.3 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| pycse-2.12.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 36.3 MB
Release files / pycse-2.12.0.tar.gz
| Download URL | pycse-2.12.0.tar.gz |
|---|---|
| Size | 18.3 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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|
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twine/7.0.0 CPython/3.13.14
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Transparency logRelease files / pycse-2.12.0-py3-none-any.whl
| Download URL | pycse-2.12.0-py3-none-any.whl |
|---|---|
| Size | 18.0 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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|
BLAKE2b-256 checksum How to use checksums |
97414e94e75be48443c251952c79c9f06039f59a2d8c0564f6342604506ead5b
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on Oct 15, 2026.
Transparency log