how to debut a PyPI for chemistry
Project description
agci
takefuji (2022) agci for a reproducible PyPI application [Source Code]. https://doi.org/10.24433/CO.8712645.v1
Takefuji, Y. An Updated Tutorial on Reproducible PyPI Applications for Advancing Chemometrics and Boosting Learner Motivation. Chemometrics and Intelligent Laboratory Systems (2023).
This is a tutorial on how to debut a PyPI application and how to validate software reproducibility. This agci is renamed and modified from "Symmetric GC integration.py" at https://github.com/1mikegrn/pyGC/blob/master/JCE-supplemental/Asymmetric%20GC%20integration.py The modification is used to show how to debut a PyPI application and how to validate software reproducibility via Code Ocean.
how to install agci
$ pip install agci
how to run agci
The result picture will be saved in result.png.
$ agci "csv data filename"
$ agci Sample\ GC\ data\ 1\ pt\ acetone\ 1\ pt\ cyclohexane.csv
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