🦠 Model Request: REINVENT 4 Mol2MolMediumSimilarity

ankitskvmdam commented 7 months ago

Model Name

REINVENT 4 Mol2MolMediumSimilarity

Model Description

The Mol2MolMediumSimilarity model is one of the models within REINVENT 4 used to find new molecules similar to the provided molecules.

Slug

reinvent4-mol2mol-medium-similarity

Tag

Similarity

Publication

https://chemrxiv.org/engage/chemrxiv/article-details/65463cafc573f893f1cae33a

Source Code

https://github.com/MolecularAI/REINVENT4

License

Apache License 2.0

miquelduranfrigola commented 7 months ago

/approve

github-actions[bot] commented 7 months ago

New Model Repository Created! 🎉

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

🔗 ersilia-os/eos694w

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 📚

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

miquelduranfrigola commented 7 months ago

Hi @ankitskvmdam - Thanks for the model request. Please let me know if you have any questions!

ankitskvmdam commented 7 months ago

Hi @miquelduranfrigola,

Sure I will let you know if I have any questions.

ankitskvmdam commented 4 months ago

@miquelduranfrigola I think we can close this Request. Ref: https://github.com/ersilia-os/eos694w

miquelduranfrigola commented 4 months ago

Thanks @ankitskvmdam ! @GemmaTuron can you test this model in hte context of ChemSampler maybe? Then we can close the issue.

GemmaTuron commented 1 week ago

Update

@miquelduranfrigola and @ankitskvmdam I have not had yet time to test the model within chemsampler, but the model does work. Can I close this issue? If there is concerns when I run chemsampler I'll open an issue on the model repo itself

ersilia-os / ersilia