Rich Apodaca recently wrote a post highlighting StackOverflow – a community discussion site for software development, suggesting that a similar type of site for chemists would not work. He also posted a follow up listing some factors that make something like StackOverflow unlikely for the chemistry community. I had made a quick comment noting that […]
Programming For Chemical and Life Science Informatics
Today was the final class of the graduate course I taught this semester. What with traveling and job hunting, it wasn’t as thorough as I would’ve liked (really want to cover Hadoop, EC2 etc). In any case, I’ve put up the slides from the class for posterity.
Performance of AtomContainerSet versus ArrayList
In my previous post, I had asked whether we really need AtomContainerSet and other related specialized container classes as opposed to using parametrized List objects. Gilleain had mentioned some issues that might require these specialized classes. But at this point it’s not clear to me what the intended goal for these classes was. For now, […]
More on the CDK Design Discussion
Based on my previous post, Gilleain had posted an extensive comment on the issues I had raised. I thought it’d be useful to bring those comments to the top level and add some of my own. 1) API Cleanup. I would prefer if all access modifiers were explicit – especially package, since that is the […]
Discussion Topics for the CDK Workshop (from an absentee)
The CDK workshop is coming up at the EBI next week and it’s very frustrating to not be able to attend because of stupid US visa issues. While the workshop is not very long and already has an excellent program, I think it’d be useful to have a discussion on larger and broader issues regarding […]