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bgruening / galaxytools

:microscope::books: Galaxy Tool wrappers
MIT License
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Get postgresql running in userspace #370

Open bgruening opened 8 years ago

bgruening commented 8 years ago

Using this recipe it should be possible to run postgresql in userspace and to use rdkit+postgresql to power CTB:

https://github.com/conda/conda-recipes/blob/master/postgresql-9.3

@leobiscassi

leobiscassi commented 8 years ago

I don't understand, you mentioned me because of the PR #1929? Thanks for your attention! :smile:

leobiscassi commented 8 years ago

ohhhhh, sorry! I see what is the rdkit now ... I did not know of the project, looks good!

bgruening commented 8 years ago

Just because to get your attention, because you are interested in CTB :). Our plan here is to run a complete postgresql with checmical compounds and rdkits Cartridge in userspace and save the DB as Galaxy dataset.

leobiscassi commented 8 years ago

oh sure! I really much interested in CTB and further in cheminformatics + machine learning! I will see more deeply the rdkit project, I'm pretty excited in contributing with you in this topic! I recently saw about galaxy + apache spark, you have some information about this!? I'm working with apache spark and clustering algorithms to analyze docking data in large scale. I want to include this features in docking tools in the next months, what you think about this? :grin:

bgruening commented 6 years ago

and here we go! https://github.com/bgruening/galaxytools/pull/642 ping @erasche