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MolecularAI / aizynthfinder

A tool for retrosynthetic planning
https://molecularai.github.io/aizynthfinder/
MIT License
588 stars 134 forks source link

DeepChem #20

Closed 0x2b3bfa0 closed 3 years ago

0x2b3bfa0 commented 3 years ago

I've found an interesting project named DeepChem that also seems interested in retrosynthesis. I think that some sort of collaboration could potentially be mutually beneficial.

rbharath commented 3 years ago

Chiming in on this thread from DeepChem! DeepChem tries to offer an integrated suite of machine learning tools for molecules/materials/other scientific systems (See our docs at https://deepchem.readthedocs.io/en/latest/). We'd love to be able to use aizynthfinder to provide a good retrosynthesis tool to our users. If this would be of interest to you folks, would be glad to say more what this could look like technically :)

SGenheden commented 3 years ago

Hello @0x2b3bfa0 and @rbharath

Very interesting idea! I have responded to the issue in the deepchem repository, as I believe it is best to continue the discussion there. Hence I will close this issue.

0x2b3bfa0 commented 3 years ago

Excellent!