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Found 3 papers, 3 papers with code
ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text Pretraining
To resolve the challenges above, we propose a new pretraining method, ReactXT, for reaction-text modeling, and a new dataset, OpenExp, for experimental procedure prediction.
Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules
Our results show that a subgraph-level tokenizer and a sufficiently expressive decoder with remask decoding have a large impact on the encoder's representation learning.
ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction
Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process.
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