Dear colleagues,
For those of you with interest in running calculations using wrappers from
languages like ruby and python, or in benchmarking methods, I just ran into
a package called Cuby that has some great interfaces to existing benchmark
sets (S66 etc etc).
http://cuby4.molecular.cz/index.html
I just got the benchmark datasets from Jan Řezáč, and can ask him for a
beta release of the code if anyone is interested. The public release of the
code is coming later this year.
Best wishes,
-Martin