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SMILES enumeration for machine learning #15

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hsiaoyi0504 opened this issue Oct 24, 2018 · 4 comments

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hsiaoyi0504 commented Oct 24, 2018

No description provided.

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hsiaoyi0504 commented Apr 26, 2020

https://arxiv.org/abs/1703.07076

Owner Author

hsiaoyi0504 commented Apr 26, 2020

rdkit/rdkit#2042

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hsiaoyi0504 commented Jun 2, 2020

https://github.com/titanda/Learn-it-all

hsiaoyi0504 changed the title ~~SMILES enumeration~~ SMILES enumeration for machine learning

Owner Author

hsiaoyi0504 commented Aug 30, 2020

https://github.com/MarcusOlivecrona/REINVENT

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