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### Summary
Presently this [workflow](https://github.com/ersilia-os/ersilia/blob/master/.github/workflows/ersilia-base-image-to-dockerhub.yml) that is supposed to build and upload Ersilia's docker im…
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## Motivation
At the moment, [ZairaChem](https://github.com/ersilia-os/zaira-chem) has a lot of dependencies, as apparent from the `install.sh` file. Importantly, several Conda environments are cre…
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### Describe the bug.
Recently got this error when fetching `eos3b5e` from a github on `python 3.12` conda env and got this error:
```
File "/home/abellegese/miniconda3/lib/python3.12/site-pa…
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### Summary
@Abellegese is looking into improving the design architecture of core components within the Ersilia CLI, as well as replacing sequential execution with asynchronous approaches.
On top o…
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### Summary
Ersilia CLI presently has several commands and some of them are either not being used, are redundant (ie their functionality is a subset of another command), or are outdated. This issue…
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### Describe the bug.
Hi @Abellegese , in this pytest file: https://github.com/ersilia-os/ersilia/blob/master/test/test_url_search.py I see a hard-coded DigitalOcean URL. We should not have it like t…
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### Summary
We need to implement unit tests for the different components within Ersilia to make sure our pipelines are robust and we are able to push with confidence.
Due to the [work](https://…
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### Model Name
Chemical space 2D projections against DrugBank
### Model Description
This tool performs PCA and UMAP projections taking the DrugBank chemical space as a reference. The Ersilia Compou…
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### Summary
All code in ersilia should be blackened (formatted) with the `black` tool.
I suggest that we do this in CI/CD. I am quite confident GitHub Actions exist to format code.
### Objective(s)…
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### Describe the bug.
Hi @DhanshreeA
I have several models fetched through DockerHub
When I run `ersilia catalog --local`, some models do not appear. Yet, when I then fetch them, the following m…