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0:37:30
drmeister
Those are different molecules made using our chemistry, approx the same amount of each.
0:37:52
drmeister
Note the 4th from the left and the 1st from the left - they are puffy - like aerogels.
0:41:17
drmeister
These and ~150 other molecules were synthesized in the last month using an application that I developed in Cando that designs the sequences and generates control files for the robotic synthesizers that made these molecules. It also generates a chemical formula database for each molecule that we use to assess how well each synthesis worked.
2:51:43
docl
I went ahead and pasted that to ##hplusroadmap -- lots of nanotech enthusiasts, some with practical experience. Hope you don't mind :) Automated chemistry with molecular building blocks is right up our alley.
2:52:40
docl
This has inspired me to take up lisp again. I'm finally using emacs halfway competently.
2:56:13
docl
I have a docker with cando running now. I get some errors in some of the demos, but I'm not sure how much of that is from stuff that has been fixed already.
3:03:44
lsneff
It is! Lots of smart people there. I'm there in an attempt to get smarter through osmosis.
3:06:42
yonkunas
docl: I am about to push a new image. Give me about 15 min and you can pull the new one. It should have a ton of fixes at least for Demo 3 thermodynamic integration. Which demos are you using? Let me know the errors you see and I can fix things up.
3:13:55
docl
yonkunas: thanks! I will install it. It was one of the first few demos that I noticed it in. I'll look it up
3:15:38
yonkunas
docl: It is there, go ahead and pull it down. Ok, yeah those first few demos have a lot of old code in them. I will look through them again and update.
3:33:32
docl
00 4201764ed19f thirdlaw/cando "/opt/clasp/bin/dock…" 5 seconds ago Created recursing_sanderson
3:33:35
docl
b736f2fd43a9 thirdlaw/cando "/opt/clasp/bin/dock…" 13 seconds ago Up 12 seconds 0.0.0.0:8888->8888/tcp competent_antonelli
3:37:17
drmeister
We've been focusing on some new, very technical demos for drug design. Some of the other demos we broke because of all the improvements we've been making. Bug reports are welcome.
3:38:16
drmeister
yonkunas: We should probably move the cando-demos into a cando-developers repo and then we could keep track of issues.
3:39:15
drmeister
Hmm, I don't think they are yet. They are the 03 demo and another in cando/extensions/cando/src/examples/thrombin-tirun