The move to Rockville is complete and I’ve started work at the NCGC. This week has been a bit hectic what with setting up house and getting up to speed at work. But I’m really excited with the stuff that’s going on here – lots of interesting projects in various areas of chemical biology and […]
Hadoop, Chunks and Multi-line Records
In a previous post I described how one requires a custom RecordReader class to deal with multi-line records (such as SD files) in a Hadoop program. While it worked fine on a small input file (less than 5MB) I had not addressed the issue of “chunking” and that caused it to fail when dealing with […]
Change – Yes, I Did
I’ve been at IU for 3 years now, the last two as a visiting faculty member. However the time has come for a change. I have accepted a position at the NIH Chemical Genomics Center working in the informatics group and will start there in mid-May. I’m pretty excited about this move, as the group […]
Circular Fingerprints with the CDK and Clojure
One of the things I’m liking about Clojure is that it can be used as a quick prototyping language, a lot like Python. This is quite handy when playing with the CDK, as I can avoid a lot of the verbosity of Java code. As an example, I put together a very simplistic circular fingerprint […]
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 […]