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Updated
Jan 4, 2024 - Python
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The NeoChemSynthWave: Chemistry project.
modify original aizynthfinder code for end-user
A web application to display the retrosynthetic reaction pathway using FLASK
Preprocessing of datasets of chemical reactions: standardization, filtering, augmentation, tokenization, etc.
A repository for evaluating single-step retrosynthesis algorithms
Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions
RetroBridge: Markov Bridge Model for Retrosynthesis Planning
Energy-based modeling of chemical reactions
Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative interpretability
Retrosynthesis prediction for organic molecules with LocalRetro
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