agci

Name	agci JSON
Version	0.0.2 JSON
	download
home_page	https://github.com/y-takefuji/agci
Summary	how to debut a PyPI for chemistry
upload_time	2024-04-22 08:26:38
maintainer	None
docs_url	None
author	yoshiyasu takefuji
requires_python	>=3.8
license	None
keywords
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            # agci
[![Open in Code Ocean](https://codeocean.com/codeocean-assets/badge/open-in-code-ocean.svg)](https://codeocean.com/capsule/9562303/tree)

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

<img src='https://github.com/y-takefuji/agci/raw/main/result.png' width=640 hight=480>



            

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