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I was recently asked online why I bother at all with writing open source chemistry software. It’s a good, important question for myself and my career.

I believe in working smarter and harder. One of my Ph.D. advisors said “a day in the library saves a month in lab.”

I believe a day (or a week) designing [...]

I have periodically posted images of molecules. This particular entry is the structure of Lipitor, aka Atorvastatin, one of the highest selling drugs in the world. Among the classes of statin drugs, this molecule is used to lower blood cholesterol.

Another reason I’m posting this molecular image is that it was generated by a new feature [...]

Continuing my previous post, much like the “foundation” meeting at the Spring 2005 ACS National Meeting, many of us met over food and drinks to talk about chemistry, informatics, project development, and other things.

Starting at last year’s American Chemical Society national meeting in spring 2005 in San Diego, CA, the Blue Obelisk movement of open chemistry was started.

I recently released a new software project that grew out of a personal need. I have thousands of chemistry files on my computer and no good way to sift through them. The web may have sites like Chmoogle and great databases of chemical data out there.

It is easier to use Google to find something from [...]

Software releases are in some ways like birthdays. When someone turns 40, it’s not like they woke up one day and were a year older than when they were 39. And certainly, they didn’t wake up on their birthday, suddenly becoming “in their 40s” rather than “in their 30s.” They’re really just a day older, [...]