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