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Data-Driven Chemistry

Welcome to Data-Driven Chemistry

About Data-Driven Chemistry

Data Driven Chemistry

Introduction to Python

Unit 01: Problem Solving I
Unit 01: Problem Solving II
Unit 02: First steps in Python I
Unit 02: First steps in Python II
Unit 03: Loops, Pandas and Simple Plotting I
Unit 03: Loops, Pandas and Simple Plotting II
Unit 04: Functions I
Unit 04: Functions II

Introduction to Plotting and Statistics

Unit 05: Introduction to NumPy and Plotting, part I
Unit 05: Introduction to NumPy and Plotting, part II
Unit 06: Comparing Statistical Distributions

Molecular Geometries

Unit 06: An Introduction to Molecular Geometries

Fitting Data

Unit 07 Fitting Part I
Unit 07: Fitting Part II – Linear and non-linear Fits

Applications of Python in Chemistry

Unit 08: Applications to Chemistry – Mass Spectrometry and Radioactive Decay
Unit 09: Applications II UV-Vis Spectroscopy
Unit 09: Applications II Protein SAXS and simulation data
Unit 10: Analysing NMR Data from Start to Finish
Unit 10: Solutions to Analysing NMR Data from Start to Finish

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