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Steps to Reproduce
1. Launch Ketcher
2. Click the Open button.
3. In the 'Input' field put the incorrect InChi string, for example:
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8$h8H,2-7H2,1H3 - special symbo…
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Just as information, I don't know If we can really to something to fix it. Like this it will be a least documented.
It is just to point out some strange behavior in the molecule search tool.
Some C…
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Hello,
I tried to install Coot 1.x on Ubuntu 22.04 using the [build-it-3-3](https://raw.githubusercontent.com/pemsley/coot/main/build-it-3-3) script and it halted during coot build step (complete log…
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I am sending a request in a container to the address `/indigo/validate`
```
{
"data": {
"type": "validation",
"attributes": {
"compound": {
"structure": "InChI=123",
…
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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] Install Docker…
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Hi ChEBI folks,
One of our ETL pipelines at alliancegenome.org just started failing recently and we traced it down to a weird synonym format in the Sept 1st release of the ChEBI ontology. More spec…
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This task was suggested by @turbomam, who said all the hyperlinks are defined in Markdown files in the `docs` directory.
I plan to use https://github.com/lycheeverse/lychee to check the hyperlinks.…
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### Bug Description
Website molecule search is truncating an input Inchi string. The Inchi string I input is
`InChI=1S/C17H17IN2O2/c1-11(2)12-7-8-14(18)17(22)15(9-12)20-19-10-13-5-3-4-6-16(13)21/h…
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Thank you for the nice model, when I was attempting to run the iceberg_demo notebook on GPU i encountered the following error when attempting to run
outputs = model.predict_mol(smi=test_smiles,
…
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**Is your feature request related to a problem? Please describe.**
As somebody who barely knows what they're doing, I get InChI and InChIKey identifiers confused, and the toolkit offers `Molecule…