Le 04/12/2019 à 16:05, Greg Landrum a écrit :
Ideas/suggestions are welcome.
Dear all (and Gred of course :-),
I'd suggest to have:
- gist referenced in the blog (a small intro to the question)
- and/or a link to a "cookbook" section
- a link on the blog to existing blogs (aka planetrdkit?).
I found myself quite confused about some concepts, mostly because
sometimes I'm lacking them (or the advanced requirements related to the
concepts).
I have started aggregating knowledge related to these approaches
(simplified introduction to concepts+usage):
1 -
https://connect.ed-diamond.com/GNU-Linux-Magazine/GLMFHS-094/Recherche-de-molecules-innovantes
(in French, but you get the concepts :-)
2 - https://www.steletch.org/spip.php?article91 (rdkit + django)
3 - https://www.mdpi.com/1422-0067/20/20/5062 (how to gather
experimental information from ChEMBL+in house lab and docking data from
in-house)
But I think the documentation is an ever growing problem, you could
think to add a "contribute" to the documentation with a list of
"requested features". Since I'm using rdkit more and more for my
research, and half of my activity is also to teach, I may try to
contribute by "small" documentation on topics where I find it usefull
for my students :-)
HTH,
Stéphane
--
Team Protein Design In Silico
UFIP, UMR 6286 CNRS, UFR Sciences et Techniques,
2, rue de la Houssinière, Bât. 25, Nantes cedex 03, France
Tél : +33 251 125 636 - Fax : +33 251 125 632
http://www.ufip.univ-nantes.fr/ - http://www.steletch.org
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