🦠 Model Request: Demo Malaria Model

[LauraGomezjurado]

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-only

[DhanshreeA]

Hey @LauraGomezjurado! Thank you for this model suggestion! A small tip - Malaria Inhibitor Prediction might be a better suited name for the model. :) The same applies to the model slug as well.

[GemmaTuron]

Is this a demo for you to test @LauraGomezjurado ? We can approve it if that is the case and then close it after when you are ready to tackle your model incorporation
Let me know

[LauraGomezjurado]

Thank you Gemma! Yes this was just a demo to test as I was going through the documentation of the Ersilia book, it was the same test that is in the book

[GemmaTuron]

/approve

[github-actions]

New Model Repository Created! 🎉

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

🔗 ersilia-os/eos83pt

Next Steps ⭐

Now that your new model respository has been created, you are ready to start contributing to it!

Here are some brief starter steps for contributing to your new model repository:

Note: Many of the bullet points below will have extra links if this is your first time contributing to a GitHub repository

• 🍴 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

Additional Resources 📚

• CONTRIBUTING.md
• About Pull Requests
• About Forks

If you have any questions, please feel free to open an issue and get support from the community!

[GemmaTuron]

Hi @LauraGomezjurado

Can we close this model if you are done with the testing?

[GemmaTuron]

Hi @LauraGomezjurado

Please let me know if we can close this model.

[LauraGomezjurado]

Thank you @GemmaTuron, yes you can close this model, thank you again!