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```python
from rdkit import Chem
from rdkit.Chem import AllChem
from IPython.display import display, SVG
from rdkit.Chem import rdDepictor
from rdkit.Chem.Draw import rdMolDraw2D
import csv
d…
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Hi @ptosco. Any chance of access to the atoms and their properties? Specifically, I am developing an application that does a SMARTS match and then looks at the matching atoms. This works so far, in th…
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Dear Authors,
Sorry the question might seems to be a bit trivial.
I am having a bit trouble creating reaction_to_building_blocks.pkl file for a customized smiles dataset. From my understanding,…
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I am trying to use `chemper.smirksify.SMIRKSifier` to build a list of smarts patterns from clusters for cis- and trans-butene. Based on my clustering, CC single bonds should be discriminated between c…
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then add support for https://www.together.ai/, their mixtral model endpoint is pretty decent and also [pretty affordable](https://www.together.ai/pricing), would be a great feature for the kinds of t…
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The pocket size and shape is not considered at all for elaborations. Syndirella could have directed elaborations off identified points on compound that point to a space in the pocket for elaborations.…
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Migrated from [rt.cpan.org#60624](https://rt.cpan.org/Ticket/Display.html?id=60624) (status was 'open')
Requestors:
* TONYC@cpan.org
From tonyc@cpan.org on 2010-08-23 04:19:57
:
```
# remove rectang…
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**Describe the bug**
I got the message : making cabililty …. On off , devices can not be add , what must I do ?
I started up new everything, all devices are in the Homey except the Tuya smarts on…
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The current maneuver planner works well enough for near-circular orbits. Can I modify it to handle higher eccentricity starting orbits as well? I think the main issue is that the delta-V for the man…
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I've been playing with the concept of the JVM receiver a little
[JVMReceiver-Example.zip](https://github.com/jamesladd/stc/files/1348719/JVMReceiver-Example.zip)
You might not want to look at th…