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Popular GitHub Repositories for Reactions

Discover the most popular open-source projects and tools related to Reactions, and stay updated with the latest development trends and innovations.

Rxnmapper

atom-mapping

RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).

303

2周前

MolReactGen

auto-regressive-model

Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implementation of OpenAI's GPT-2 transformer decoder model

3周前

ReactAIvate

attention-mechanism

ReactAIvate: A Deep Learning Approach to Predicting Reaction Mechanisms and Unmasking Reactivity Hotspots

1个月前