Programming
所属分类:Python编程
开发工具:Jupyter Notebook
文件大小:0KB
下载次数:0
上传日期:2024-01-12 23:17:04
上 传 者:
sh-1993
说明: Jupyter关于Python编程的基础讲座
(Basic Jupyter Lectures on Python Programming)
文件列表:
Test_Files/
Chemistry_Tools.ipynb
Data_Analysis.ipynb
Data_Basics.ipynb
Errors.ipynb
Introduction.ipynb
LICENSE
Python_Worksheet.ipynb
# Programming for Chemistry
Author: Oliviero Andreussi, Department of Chemistry and Biochemistry, Boise State University
E-mail: olivieroandreuss@boisestate.edu
Content of the project:
Basic Jupyter Lectures on Python Programming for Undergraduate Chemistry Courses and Labs
* **Introduction**: covers basic programming strategies, assignments, conditionals, loops, formatting, and plotting
* **Errors**: covers concepts on measurement errors, some basic statistics (binomial and normal distributions), error propagation, reading files, Pandas dataframes, and linear regression with Sklearn
Assignments:
* **Python Worksheet**: four tasks on error analysis, basic math on a dataset, more advanced operations on the columns of a dataset, and linear regression fit.
Datafiles used in the notebooks:
* test.csv: absorbance vs. time data collected in a kinetic experiment
* protein.csv: atomic properties (element, environ descriptors, coordinates, mass, distance from center of mass) of atoms in a small protein
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