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Scientific Computing for Chemists with Python
Chapter 0: Python & Jupyter Notebooks
Chapter 1: Basic Python
Chapter 2: Intermediate Python
Chapter 3: Plotting with Matplotlib
Chapter 4: NumPy
Chapter 5: Pandas
Chapter 6: Signal & Noise
Chapter 7: Image Processing & Analysis
Chapter 8: Mathematics
Chapter 9: Simulations
Chapter 10: Plotting with Seaborn
Chapter 11: Nuclear Magnetic Resonance with NMRglue
Chapter 12: Machine Learning using Scikit-Learn
Chapter 13: Command Line & Spyder
Chapter 14: Optimization and Root Finding
Chapter 15: RDKit for Cheminformatics
(BETA)
Chapter 16: Bioinformatics with Biopython and Nglview
(BETA)
Index
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