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Hi,
I have been developing a model in mice using PKSim, where the model shows the drug accumulates in the brain, while my data does not. Below I've included a plot showing the arterial blood concen…
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Nothing public yet.
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I try to create a String with a molecular formula of a molecule from a InChI String. The InChI contains some deuterium atoms which are somehow ignored in the conversion process. As far as I can find o…
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We need to co-ordinate the semantics of LEGO models with each other and with the semantics of the various ontologies used. To support this, curators need access to templates which they can insert int…
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@scottfredericks it might be a good idea to take the advantage of ase for generating molecular crystal.
ASE provides a collection of small molecules which you can use for test.
```python
from ase.…
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Inviting @satijalab, @mojaveazure, @pkharchenko @falexwolf @gioelelm @pl-ki @JobLeonard to discuss:
You're all invited because of your expertise writing single-cell pipelines. I think if we could a…
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https://doi.org/10.1101/223339 (https://www.biorxiv.org/content/early/2017/11/22/223339)
> The prevalence of high-throughput experimental methods has resulted in an abundance of large-scale molecul…
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Here is the file to test
[structure.zip](https://github.com/ParmEd/ParmEd/files/2102687/structure.zip)
```python
import parmed
x = parmed.load_file('structure.prmtop')
prm = parmed.amber.Amber…
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I have got cellbarcode whitelist from 10X Genomics. I tried to link it via configuration xml file and tried running dropEst, but it did not accept the input. Cell barcodes look like following.
AAAC…
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**Version/Branch of Dear ImGui:**
v1.60
**Back-end/Renderer/OS:**
- Windows 10 Pro build 16299.
- System Language: English.
- Render: DirectX 11.0
- IDE: Visual Studio 2017 Exterpris…