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by Andrew Dalke.
Original Post: Teaching Python programming for cheminformatics
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Feed Description: Writings from the software side of bioinformatics and chemical informatics, with a heaping of Python thrown in for good measure.
I'm announcing two short training classes in
Python programming for chemical informatics. I will teach the first
in Leipzig, Germany on 6-7 October. It will be hosted by the Python Academy. I'm still
working on the details of the second. It will be in the San Francisco
Bay Area in early December.
I work with and develop software tools for computational chemists,
mostly in small-molecule chemistry. These are scientists, not
programmers, but they use computers every day as part of their
research. Most need to do some programming, pehaps to implement a new
algorithm, or more likely to handle something that's too tedious or
error prone to do manually, like automating analysis of 10,000
compounds.
Most chemists have some training in programming, usually a semester or
two of introductory programming classes in college and a lot of
training from the school of experience. The latter usually means
informal training from labmates, who are also not programming experts.
I've seen many of my chemists friends work hard at getting software to
do what they want it to do. Chemists, like most other people who had
to spend years of mostly isolated work to get a PhD, know how to
perservere. But they would rather do science, not spend time figuring
out how to use software.
My training classes are meant for them. I'll cover different aspects
of how to be better at Python programming using examples that are
directly relevant to doing small molecule in silico research.
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