Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
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Oct 18, 2024 - Jupyter Notebook
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reagents
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free open source laboratory management for reagents and samples
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Jun 10, 2018 - Python
Reaction data exploration: a map of reagents with regions of similar reagent purpose.
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Oct 17, 2024 - Python
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