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Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process.
Huggingface’s transformers: State-of-the-art natural language processing
Thomas Wolf, Lysandre Debut, Victor Sanh, Julien Chaumond, Clement Delangue, Anthony Moi, Pierric Cistac, Tim Rault, Rémi Louf, Morgan Funtowicz, and Jamie Brew. 2019 · 1910
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The open reaction database
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Chemical-reaction-aware molecule representation learning
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An empirical study of gpt-3 for few-shot knowledge-based vqa
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Chemcrow: Augmenting large-language models with chemistry tools
Andres M Bran, Sam Cox, Andrew D White, and Philippe Schwaller. 2023 · 2023
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Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
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