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Recommendation for generating 3D molecule for general small molecules

Open jasperhyp opened this issue 2 years ago • 0 comments

Thanks for sharing the code of your enlightening work. I have a set of compounds that only have SMILES available. Would you recommend RDKit, Openbabel, or other tools for generating 3D structures as input into your model? Thank you!

jasperhyp avatar Apr 09 '23 22:04 jasperhyp