Yesterday, Andreas Maunz asked a question on the openbabel-discuss list: … a possibility to combine two distinct smarts patterns. Of course, there is the comma OR operator (s1,s2), but I was thinking of a more sophisticated combination, where equal parts of s1 and s2 are “mapped onto each other” in a way such that merely […]
Easy Parallelization With Clojure
As I noted in my previous post, one of the nice features of Clojure is its support for concurrent programming. Now, it provides some fancy features that allow one to write complex parallel programs. I’m certainly no expert on that topic. However, one thing that I do everyday is perform operations on elements of a […]
Testing CDK Fingerprints with Clojure
Sometime back I was bored and thought that learning Lisp would be a good past time (maybe I should get a life?). I started of with SBCL and then discovered Clojure, a Lisp dialect that compiles to the JVM. The nice thing about this is that it allows one to write Lisp but also interact […]
Chemistry, Clouds, Collaboration (Part 2)
In my previous post I talked mainly about why there isn’t a large showing of chemistry in the cloud. It was based of Deepaks post and a FriendFeed thread, but really only addressed the first two words of the title. The issue of collaboration came up in the FriendFeed thread via some comments from Matthew […]
Chemistry, Clouds, Collaboration (Part 1)
There’s been an interesting discussion sparked by Deepaks post, asking why there is a much smaller showing of chemists and chemistry applications in the cloud compared to other life science areas. This post led to a FriendFeed thread that raised a number of issues. At a high level one can easily point out factors such […]