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This is obviously a big task, but I thought it was worth opening up an issue to discuss.
It would be cool if there was a built in method to calculate and/or aggregate thermodynamic info on bigg react…
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Update the following URL to point to the GitHub repository of
the package you wish to submit to _Bioconductor_
- Repository: https://github.com/habilzare/iNETgrate
Confirm the following by edit…
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_Issue by **[schymane](https://github.com/schymane)** from Monday Oct 28, 2013 at 13:42 GMT_
_Originally opened as https://github.com/sneumann/RMassBank/issues/34_
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This relies on other discussio…
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [X] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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avogadro provides a neat summary of molecular properties in Analytic→Properties→Molecular...
It could be handy to be able to access the properties reported, in the sense of copy&paste.
In particul…
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As discussed in https://github.com/rformassspectrometry/CompoundDb/issues/99, it'd be nice to have a `formula2mz` function that, given a list of molecular formulas and a list of adducts, calculates a …
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#### Which modpack version are you using?
2.1.0.0
Now as you know you can process dusts in the centrifuge and the electrolyser
Tell me if I'm wrong but :
Centrifuge is supposed to be used for sepa…
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SBML L2v3r1 p. 75 lines 19 and 20:
The formulas are 1000\*m, where 'm' is molecular weight. However, the formulas should actually use division, not multiplication.
This issue was first reported…
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I've just been reviewing the branch shown below (with current EC/RHEA xrefs):
```
histone demethylase activity
|__histone demethylase activity (H3-R2 specific)
|__histone demethylase activity (H…
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Hi there,
I noticed there are some chemistry reaction data in metrics. Just wondering, is there any active development in applying ax to optimization in chemistry spaces (usually a multi-dimensiona…