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### 🎯 Describe what you'd like
Currently RADIS only supports nonequilibrum for CO and CO2. We should start extending to all other HITRAN species ! This is a major project that will probably require…
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@TariniHardikar @kanavsetia @hsim13372 @jarrodmcc
Now that we have the alpha version of our cloud library up and running (thanks again to @Spaceenter who did a lot of work on this) we should start…
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Problem occurs using babel 2.0.0 compiled with the
fixes from Geoff Hutchison for mol2 file atom-typing.
A pdb file downloaded from www.rcsb.org (1CRN is used
in the example files) when translate…
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In the files denmat.f90, mean.f90, dfconstrain.f90, electronflux.f90, there are notations
!! DO SUMMA (parconsplit.ne.0 and sparsesummaflag.eq.2, "circ")
!! AND DO HOPS
The subroutine…
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Should we also perform regression on the biomarker ratio's?
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The program is not starting on a Dell inspiron duo running Windows 7 32 bit.
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Interpreters
- https://github.com/FastVM/Web49 discussed here https://news.ycombinator.com/item?id=29850562 and https://github.com/FastVM/minivm-cc
- https://github.com/wasm3/wasm3
- dascript https…
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New mireot export for ENVO has lots of bare classes. these come from the includeAllIntermediates directive. But if we leave this out (ie, includeNoIntermediates), we lose lots of axioms, and the clas…
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Gather data into `data` directory on Poseidon:
- [x] Jgi protein models (Phytozyme gene models) for *P. antarctica* (CCMP1374) and *P. globosa* (Pg-g)
* https://genome.jgi.doe.gov/portal/pages/dy…
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Assume you want to parametrise Br2 (for clathrates calculations or whatever else). QUBEKit fails at stage bonded_parameters.
## Reproducing the problem
```
qubekit config create -p 5b
qubekit …