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Problem: the MITE schema has a "quality" field that currently defaults to "medium" and is not included in the html generation. It would be nice to track the quality of the entry transparently and see …
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```
from rdkit import Chem
smarts = '[#6]12:[#6](:[#6]:[#7]:[#7]:1-[#6]):[#6](-[#7]):[#7]:[#6]:[#7]:2'
mol = Chem.MolFromSmarts(smarts)
Chem.AddHs(mol)
```
fails on AddHs with
```
RuntimeError…
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When i try to convert a molecular smiles string to a smarts string, some of the stereocenters in my molecule change. Example code:
```
import rdkit
from rdkit import Chem
s = '[NH2:1]-[C:2](=…
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I'm running into an issue when running a Python Script.
I have a script which asks for user input, then returns a string in console. But when sending a message, it gives this stacktrace:
```
re…
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## **BUG REPORT**
**High Level Description**
The test `smarts/core/tests/test_renderers.py::test_multiple_renderers` causes a segmentation fault when run.
**SMARTS version**
0.4.18
**Previous…
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This is an adjunct to #1547 (States reconciliation with mobile views, overlay widgets, stackcontainer widgets). In addition to dealing with StackContainer panes in the page editor and reconciling with…
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When I run run run_smarts.py, I get the following error
How can I fix this?
```bash
Traceback (most recent call last):
File "examples/run_smarts.py", line 16, in
from gym_hiway.env.list_…
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Hi @behrisch,
We (@gamenot @adaickalavan) had previously communicated on this `traci.exceptions.FatalTraCIError: connection closed by SUMO` in eclipse/sumo#8125 and in huawei-noah/SMARTS#472 issues…
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## **BUG REPORT**
**High Level Description**
This week I've noticed our CI tests failing more often. However, when the tests are re-run, they then pass. We need to track down the source of this no…
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- [ ] inchl
- [ ] smarts