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🦠 Model Request: REINVENT 4 Mol2MolScaffold #1032
Comments
/approve |
New Model Repository Created! 🎉@ankitskvmdam ersilia model respository has been successfully created and is available at: 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:
Additional Resources 📚If you have any questions, please feel free to open an issue and get support from the community! |
@miquelduranfrigola I think we can close this model request. Ref: https://github.com/ersilia-os/eos57bx |
Thanks @ankitskvmdam ! @GemmaTuron can you please have a look in the context of ChemSampler and close this issue if it works? |
thanks @ankitskvmdam great work! I'll test it and get back to you! |
Hey @miquelduranfrigola and @ankitskvmdam The model works but I have not used it in the context of chemsampler. I'll close the model request and if there is need for edits I'll open issues on the model repository itself |
Model Name
REINVENT 4 Mol2MolScaffold
Model Description
Mol2MolScaffold uses REINVENT4's mol2mol_scaffold.prior and mol2mol_scaffold_generic.prior to generate around 500 new molecules similar to the provided molecuels.
Slug
reinvent4-mol2mol-scaffold
Tag
Similarity
Publication
https://chemrxiv.org/engage/chemrxiv/article-details/65463cafc573f893f1cae33a
Source Code
https://github.com/MolecularAI/REINVENT4
License
Apache License 2.0
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