Data Driven Chemistry#

Thisi book features material for an introductory Python course for undergraduate chemistry students.

Authors:#

  • James Cumby

  • Valentina Erastova

  • Matteo Degiacomi

  • Jasmin Güven

  • Claire Hobday

  • Antonia Mey

  • Hannah Pollak

  • Rafal Szabla

Content:#

Unit

Content Summary

Binder

Colab

01

An Introduction to algorithmic thinking and using Jupyter

Binder

Unit_01

02

Variables (int, float, string), Lists, Dictionaries and Tuples in Python

Binder

Unit_02

03

Loops and conditional

Binder

Unit_03

04

Functions, Pandas, and basic IO

Binder

Unit_04

05

An introduction to plotting, units and statistics

Binder

Unit_05

06

comparing distributions, t-tests, and molecular geometries

Binder

Unit_06

07

Correlations in data and fitting data

Binder

Unit_07

08

Applications I

Binder

Unit_08

09

Applications II

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Unit_09

10

Applications III

Binder

Unit_10