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I would like to propose a refactor of the API so that the RDKit logic is separated from the Flask logic.
I have a prototype of the required change implemented at https://github.com/jvansan/Chemical…
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Good afternoon. Not exactly an issue but a question.
Our group has generated several large theoretical libraries based on combinatorial chemistry for the common structures/substitutions we anticip…
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Hi all.
I am linking Mutation++ to a CFD solver considering thermal and chemical nonequilibrium. When it comes to computing transport properties from Mutation++, I have some questions on how to treat…
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Nginx requires `MANAGER_HOST` parameter, which is missing from config file.
I tried adding `MANAGER_HOST=127.0.0.1`, but then it raised another issue
```2019/11/29 10:02:21 [emerg] 1#1: host not…
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Issue Documentation is http://handbook.arctosdb.org/how_to/How-to-Use-Issues-in-Arctos.html
**Goal**
We are going to use object tracking for pest management so we want to barcode our traps and ent…
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Thank you for developing this great package! It saves me from dealing with Latex. I was wondering if there's a way to hide the location for certain sections. In the example resume, this would mean rem…
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The following sequence of calls throws an exception:
```
paging = LinkedData::Models::Class.in(self).include(:unmapped).aggregate(:count, :children).page(page, size)
results = paging.page(1, size).…
mdorf updated
4 years ago
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In the user responsibilities section, it said users should take care that consistent units are used for input variables.
Therefore, my understanding is that all the input variables should be in the s…
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There's been a lot of progress in generating graph structures from deep networks. The latest paper, "Junction Tree Variational Autoencoders" devises a clever approach which treats a molecular graph as…
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# Welcome to content club
Remember Urist's roadmap? **THIS IS IT NOW, FEEL OLD YET?**
Well, I guess it's time to organize content development in the same fashion we did so for engine's one! First we…
ghost updated
4 years ago