python_course

python course for our group members in Wen's group@synfuels china.

Learning to program is learning how to think as a programmer.
                                        by H. P. Langtangen

Aims

• Computational Chemistry researcher and more
• Zero-based
• Practice rather than theory
• 越过初学者的门槛
• Fast as possible

Contents

• Basic structures: (list,dict,file,functions,class)
• Libraries: (os,math, etc)
• Tools: pip, git
• Scientific programming: (numpy, scipy, matplotlib, pandas, etc)
• Computational Chemistry: (ase, pymatgen, etc)
• Machine learning: skit-learn
• More …

Reference Books and Materials

• Official Manual
• http://hplgit.github.io/
• Langtangen, H. P. A Primer on Scientific Programming With Python; Springer, 2009.
• https://github.com/lijin-THU/notes-python
• https://github.com/donnemartin/data-science-ipython-notebooks