Experiment

Yesterday, I wondered ChEMBL all MMP is possible or not. It sure can be done but very brute force in KNIME and my home PC??? I don't think so, but where is the bottleneck? So I tried this for fun.

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Downloaded SDF because I didn't even want to DB. Well, afterwards I found there is even sqlite in ChEMBL (which I'm trying to use now). But this was fun. I was surprised that upto duplicate row filter, things weren't so slow. I was even playing PC game at the same time and I think it uses some memory/CPU too (well... Monster Hunter...).

But then MMP Molecule Fragment only gradually, very slowly, went to 1%... 2%... THANKS TO VERNALIS NODES!! So I went to sleep...

This morning, I woke up and C Drive was saying ONLY HAD 98 MB LEFT!!!!! hahahaha, I think there were still about 15GB left in my C drive SSD but was all used up by KNIME temp. That was a nice stupid experiment.

 

You can move KNIME temp to D drive from the setting btw,

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How abou that now HA? I will give you few hundred GB now! Try this now!!!

( ゚Д゚)( ゚Д゚)( ゚Д゚)( ゚Д゚)( ゚Д゚)

 

So I'm trying this again for another fun but I will make a bit of change then. Cluster beforehand. See how this goes. I also want to make chembl db in my home pc now. There sure would be some blog post to do this... I will blog another post on further experiments/stupid-ideas. But is fun having KNIME calculating something on one screen and monster hunting on another screen.