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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.
✏️ 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
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.
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
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