🦠 Model Request: Demo Malaria Model

Lehcar commented 1 year ago

Model Name

Demo Malaria Model

Model Description

Prediction of the antimalarial potential of small molecules. This model was originally trained on proprietary data from various sources, up to a total of >7M compounds. The training sets belong to Evotec, Johns Hopkins, MRCT, MMV - St. Jude, AZ, GSK, and St. Jude Vendor Library. In this implementation, we have used a teacher-student approach to train a surrogate model based on ChEMBL data (2M molecules) to provide a lite downloadable version of the original MAIP

Slug

demo-malaria-model

Tag

Malaria,P.falciparum

Publication

https://jcheminf.biomedcentral.com/articles/10.1186/s13321-021-00487-2

Source Code

https://www.ebi.ac.uk/chembl/maip/

License

GPL-3.0

miquelduranfrigola commented 1 year ago

Great model choice. Let's incorporate this in the hub!

miquelduranfrigola commented 1 year ago

/approve

github-actions[bot] commented 1 year ago

New Model Repository Created! 🎉

@Lehcar ersilia model respository has been successfully created and is available at:

🔗 ersilia-os/eos7pnm

Next Steps ⭐

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🍴 Get started by creating a fork of your new model repository - docs
👯 Clone your forked repository - docs
✏️ Make edits to your new forked model repository - docs - Edits might include:
- Updating the README.md file to accurately describe your model
- Add source code for your model
- Adding documentation for your model
🚀 Open a Pull Request from your forked repository to the original repository. This will allow you to bring your local changes into the new ersilia model repository that was just created! - docs

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ersilia-os / ersilia