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Hi Team-CDK,
I am following up on a set of tweets about the performance of some of the code in `rcdk` ([Tweet here](https://twitter.com/zach_cp/status/1571871742573924356)), and I am wondering if …
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Hi, I've tried running the example script from the website and get a `RunTimeError`. I get this if I run the script directly (e.g. `python script.py`) or when I try to run this interactively via ipyth…
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Later Edit: Rezolvat. Poate fi sters acest issues.
Am gasit rezolvarea intr-un alt Issue inchis.
Multumesc!
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Salut,
In primul rand mega-felicitari pentru proi…
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I added @Ignore annotation to some of the test cases that fail in PR #15.
@ntk73 Once PR #15 is merged, I would appreciate it if you could have a look. Seems to have something to do with stereoch…
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Some of the reaction files we process are in V3000 format.
@ntk73 Could you give us a rough estimate how much work / cost would be involved to add support for V3000? Thank you.
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Imi afiseaza canalele dar cand incerc sa intru pe unu din ele (de ex PRO TV) imi da eroare:
```
2022-10-20 17:22:36.050 T:2612 INFO : CAddonMgr::FindAddon: plugin.video.TVOnline.ro v19.2.9 ins…
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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The Save Molecule dialog box is to some extent able to use the file extension to guess the requested file formal, e.g. .xyz, tmol, gau, without having to select the specific format from the drop-down …
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"7_create_library_files.py"
There is a small bug, as the folder path_library need to be created, e.g. including:
if not(os.path.isdir(path_library)): os.makedirs(path_library)
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if regex_cas := re.match("^(\d{2,7})\-(\d{2})-(\d{1})$", cas_rn):
^
SyntaxError: invalid syntax