On Apr 7, 2018, at 07:13, Greg Landrum <greg.land...@gmail.com> wrote:
> Andrew Dalke (Dalke Scientific) will offer a course on Python and the RDKit
I need to finalize what I'm going to cover. I've been going between two
approaches.
1) Python programming for cheminformatics
This is meant for someone who has some programming experience but has not
worked with Python before. It will cover the basics of the language (variables,
for loops, defining functions), with examples based on the RDKit. The students
will work in an IPython notebook, and the exercises will also touch on pandas
and a few other important tools.
2) Introduction to the RDKit and its ecosystem
This is meant for people who have some Python programming experience and
want to learn the basics of RDKit and how it works with other tools like
IPython, pandas, and Postgres.
I don't have a good sense of which approach is more helpful to the sorts of
new(ish) RDKit users who would go to an RDKit UGM.
I lean towards the first because my experience (when I taught similar courses
5-10 years ago) was that many students had no experience with Python, and
certainly it wasn't something they learned in any formal sense.
But times may have changed.
If you have feedback or commentary, please let me know by private email.
Thanks!
Andrew
da...@dalkescientific.com
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