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**Steps to reproduce:**
1. Open attached Combination_Sgroups.molfile in Ketcher. Combination_Sgroups.mol
[Combination_Sgroups.zip](https://github.com/epam/ketcher/files/5182011/Combination_Sgr…
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Hi,
I was trying the script in dgl-lifesci/examples/property_prediction/moleculenet for molecular property prediction. I got the following error when running command `python classification.py -d Cl…
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| File Type | text |
| --- | --- |
| Topological information | Yes |
| Positions | Yes |
| Velocities | Maybe |
Reference of the foirmat: http://scripts.iucr.org/cgi-bin/paper?S010876739101067X
A li…
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Having a website (e.g., SPA) for demo purposes would increase accessibility a lot. Currently, the accessibility of TUCAN is too limited, since the package needs to be installed in a local Python envir…
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**Steps to Reproduce**
1. Open Ketcher
2. Open structure
[cis_trans.zip](https://github.com/epam/Indigo/files/10697506/cis_trans.zip)
3. Save as MDL Molfile v3000
4. Open saved file or Paste …
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I would like to provide my own datasest for retraining torisional-diffusion. There are some things that I do not know what value to put in for the pickle file. For example, the conformers dictionary h…
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In response to https://github.com/ramnathv/htmlwidgets/issues/192, a sketcher canvas should be made.
I pencilled out a sketcher but for some reason the toolbar is not working. Not sure why. I need t…
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After installing the necessary dependencies
```console
sudo yum install -y subversion gcc gcc-c++ kernel-devel python3-devel glew-devel freeglut-devel libpng-devel freetype-devel libxml2-devel
```
…
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For the 1.0 release all previously deprecated functionality can be removed. They should be identifiable in the code base via a `DEPRECATED` in the docstring or a `DeprecationWarning` that is raised.
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http://chemwiki.scc.kit.edu/main/mediawiki/Molecule:100508
I wanted to midify the structure of BIH as it looks a bit odd (older version of ketcher) and Laura added it to a publication page where it…