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After I had installed paper-qa
```
mamba create -n paperqa2 python=3.11
mamba activate paperqa2
git clone https://github.com/Future-House/paper-qa.git
cd paper-qa
pip install -e .
```
...a…
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Thank you for your great tools, it helped me a lot.
Now, I have a problem, How could I generating profiles(expression) for new chemicals from SMILES for new chemicals.
Do you have any user guid or e…
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Hello,
The converter now generates automatically an input File containing
Ref for ptcl.xml
Ref for wfs.xml
Hamiltonian (by default, assumes BFD ECP. But there is a warning in the Comments.)
…
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When using self-contained flame, RDKit computes only 114 descriptors instead of 200. There is no error message, I realized of this when using a model created in a regular flame version.
It seems to…
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Hi all, this issue follows a call for clarification over at https://github.com/EnvironmentOntology/envo/issues/768
In summary, when CPo is used between an environmental material (like `a portion of…
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The scenario I am thinking about would be assigning an entry for the ISA-TAB-Nano Material file "Material Chemical Name" field, but this could be a more generally applicable concern.
There appears a …
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I have a ship that is full of fuel, yet i can't move it.
0cab3265af9777a0f5fb90e2680e235dadeeae17
http://dump.bitcheese.net/files/zoxapux/l29ah_buggy_eta.mps
Play as L29Ah, Fleet 732 in the deep space…
l29ah updated
5 years ago
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Hello, I like your article very much, I have a problem, why my usage matrix value is NA, and then the gene matrix is normal
The def is the same as the label, suggest revising the tex…
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Hi,
I'm using the rCDK package and I'm getting the isotope pattern for a given molecular formula, but they have no labels as to what combination of isotopes each line belongs to.
Is there a way to g…