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**Describe the bug**
I think we might need to pin Umap Learn version 0.5.3, as it now automatically installs version 0.5.5 and it gives an error.
Have not had time to look into it in detail so I m…
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### Summary
Some (or all of) the REINVENT models in the Ersilia Model Hub have an unconventional output in JSON format, mainly because there is an `outcome` header in the `service.py` file. We need t…
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Using model eos4zfy in [this run](https://github.com/ersilia-os/model-inference-pipeline/actions/runs/9202245571/job/25311754747#step:6:78), writing to DynamoDB fails on some workers.
Upon closer i…
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This model is ready for testing. If you are assigned to this issue, please try it out using the CLI, Google Colab and DockerHub and let us know if it works!
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Hello @mattodd @edwintse,
At @ersilia-os we have tried to generate new Series 4 candidates. In short, we provide two tables:
* A list of >100k molecules obtained with a generative model: [downlo…
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Luperini-Brogi edition has two apparatus bands... how do we proceed with the numbering of the xml:id? (Same for Bricchi).
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**Summary !!!**
- **BioModel Name**: Jiménez-Luna2021 - Coloring molecules for interaction with CYP3A4
- **BioModel Tag**: Machine learning model, Ersilia
- **Metadata Comments**:
The model…
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### Model Name
Pharmacophore-guided molecular generation
### Model Description
Based on a molecule's pharmacophore, this model generates new molecules de-novo to match the pharmacophore. A graph ne…
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**Summary !!!**
- **BioModel Name**: Francoeur2021 - SolTranNet–A Machine Learning Tool for Fast Aqueous Solubility Prediction
- **BioModel Tag**: Machine learning model, Ersilia
- **Metadata…
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