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Recommendation for generating 3D molecule for general small molecules #13

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jasperhyp opened this issue Apr 9, 2023 · 0 comments
Open

Recommendation for generating 3D molecule for general small molecules #13

jasperhyp opened this issue Apr 9, 2023 · 0 comments

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@jasperhyp
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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!
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