Molecular docking, estimating free energies of binding, and AutoDock’s semi-empirical force field
Discussions and questions about methods, approaches, and tools for estimating (relative) binding free energies of protein-ligand complexes are quite…
Discussions and questions about methods, approaches, and tools for estimating (relative) binding free energies of protein-ligand complexes are quite…
This blog post is the fourth part of the series on Clustering with Dirichlet Process Mixture Models. In previous articles we discussed the Finite Dirichlet Mixture Models and we took the limit of their model for infinite k clusters which led us to the …
The default Python interpreter was designed with simplicity in mind and has a thread-safe mechanism, the so-called “GIL” (Global Interpreter Lock). In order…
At its core, this article is about a simple cheat sheet for basic operations on numeric matrices, which can be very useful if you working and experimenting…
The Parzen-window method (also known as Parzen-Rosenblatt window method) is a widely used non-parametric approach to estimate a probability density function…
Many beginning Python users are wondering with which version of Python they should start. My answer to this question is usually something along the lines…
In this little tutorial, I want to show you in 5 simple steps how easy it is to add code syntax highlighting to your blog articles.
This article is the third part of the series on Clustering with Dirichlet Process Mixture Models. The previous time we defined the Finite Mixture Model based on Dirichlet Distribution and we posed questions on how we can make this particular model infi…
Many people have asked me how I create the table of contents with internal links for my IPython Notebooks and Markdown documents on GitHub. Well, no…
This blog post is the second part of an article series on Dirichlet Process mixture models. In the previous article we had an overview of several Cluster Analysis techniques and we discussed some of the problems/limitations that rise by using them. Mor…