🦠 Model Request: H3D virtual screening cascade light

[miquelduranfrigola]

Model Name

H3D virtual screening cascade light

Model Description

This panel of models provides predictions for the H3D virtual screening cascade. It leverages the Ersilia Compound Embedding and FLAML. The H3D virtual screening cascade contains models for Mycobacterium tuberculosis and Plasmodium falciparum IC50 predictions, as well as ADME, cytotoxicity and solubility assays

Slug

h3d-virtual-screening-cascade-light

Tag

Malaria,P.falciparum,Tuberculosis,M.tuberculosis,ADME,Cytotoxicity,Solubility

Publication

https://www.biorxiv.org/content/10.1101/2022.12.13.520154v1

Source Code

https://github.com/ersilia-os/h3d-screening-cascade-models

License

GPLv3

[miquelduranfrigola]

/approve

[github-actions[bot]]

New Model Repository Created! 🎉

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

🔗 ersilia-os/eos7kpb

Next Steps ⭐

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

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• ✏️ Make edits to your new forked model repository - docs - Edits might include:
  • Updating the README.md file to accurately describe your model
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• 🚀 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]

This model is now ready