Published October 15, 2021
| Version v1
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Trained Transformer model for publication " Molecular optimization by capturing chemist's intuition using deep neural networks"
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Description
Trained Transformer model as described and used in the publication of " Molecular optimization by capturing chemist’s intuition using deep neural networks"
Files
train_transformer.zip
Files
(194.0 MB)
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md5:93f478ab786cb944cf71559f4e3e4296
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Additional details
Related works
- Is supplement to
- https://github.com/MolecularAI/deep-molecular-optimization (URL)
- Journal article: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-021-00497-0 (URL)