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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/Huber-group-EMBL/DepInfeR
Confirm the following b…
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This issue has been created to discuss the relationships of vitamins and their vitamers in CDNO and CHEBI.
**1.** We have ask CHEBI team, specially @amalik01 for clarification about the relationshi…
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I am using a .sdf file containing a 3D conformer from PubChem and am performing geometry optimization in water using:
` xtb ma.sdf --alpb water --gfnff
`
When I run this, I do not get the desi…
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# Please describe.
While researching butchery racks for tileset art, I found - not really surprisingly in hindsight - that a folding deployable 'butchery rack' is not really a thing in real life. Whi…
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We should start considering what features we want to include in the next release after 7.6 (whatever we end up calling it). Here's my first pass at reviewing open feature requests. To start with, he…
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The main fuzzy part (in terms of both idealized conceptualization *and* practical implementation) is this business of the boundary between `dwc:Organism` and `dwc:MaterialSample`, and the respective l…
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This axiom is asserted in Uberon now, but (according to Paula) snakes and whales have limb buds but no limbs.
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## Description of bug / unexpected behavior
trying to set up logging in a config file fails
## Expected behavior
logs written to a file
## How to reproduce the issue
Code for reproduci…
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Orca 3.0.0 runs fine with qcxms v5.1.1, but with ORCA 5.0.1 there is an error.
````
Program Version 5.0.1 - RELEASE -
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
…
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@antoine-levitt @mfherbst
I've been developing a package that utilizes DFTK in order to quickly create systems to test for physical characteristics. I was curious if you would like to merge these hi…