🦠 Model Request: CHEESE similarity search

[miquelduranfrigola]

Model Name

CHEESE similarity search

Model Description

Perform similarity search with the CHEESE embedding-based server, which takes into account 2D as well as 3D similarities (electrostatics and shape) and queries against ZINC15 and Enamine REAL. This model requires an API key.

Slug

cheese-similarity-search

Tag

Similarity

Publication

https://cheese-docs.deepmedchem.com/index-news/

Source Code

https://cheese-docs.deepmedchem.com/tutorial_api_python/

License

GPL-3.0-only

[miquelduranfrigola]

/approve

[github-actions]

New Model Repository Created! 🎉

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

🔗 ersilia-os/eos9uqy

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!

[miquelduranfrigola]

Note: Working on this slowly since I am using this model to develop the API authentication logic in Ersilia. @DhanshreeA , this is to keep you in the loop.

[miquelduranfrigola]

Taking this up again since CHEESE has significantly improved their API documentation and robustness: https://api.cheese.themama.ai/docs

[miquelduranfrigola]

I am working on this model at the moment, after adopting the new CHEESE API: https://github.com/ersilia-os/eos9uqy