This is part III of a series of three posts about optimizing python code. The particular example given is the computation of pair-wise distances under periodic boundary condition which is an essential part of molecular dynamics simulations. In this post, I show how to use Numpy to do the computation.

This is part II of a series of three posts about optimizing python code. The particular example given is the computation of pair-wise distances under periodic boundary condition which is an essential part of molecular dynamics simulations. In this post, I show how to use Numpy to do the computation.

In this series of posts, using calculation of pair-wise distances under periodic boundary condition as an example, I show several different methods to optimize Python codes. The performances from different methods are benchmarked for comparison.

Ever wondering is it possible embed scientiﬁc python codes and let user interact with it directly in your website? In this post, I demonstrate how to use **Pyodide** to execute python code inside the browser using an example of 2D random walker.

Ever wondering how to run a ipython notebook on a remote machine? Here is how to do it in a simple way. My research work involves a lot of using of IPython Notebook. I usually do it on an ofﬁce MAC. However I also very often need to access it from home. After a brief searching, I found these three wonderful articles on this topic