A web application to display the retrosynthetic reaction pathway using FLASK
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Jun 24, 2020 - Python
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reaction-prediction
Here are 6 public repositories matching this topic...
An implementation of the encoder-decoder transformer for SMILES-to-SMILES translation tasks with inference accelerated by speculative decoding
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Jul 19, 2025 - Python
Sample app for visualizing profiles caused by different differential equations
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May 29, 2024 - Python
Official Code for ReactionTeam: Teaming Experts for Divergent Thinking Beyond Typical Reaction Patterns (In IEEE Conference BigData 2025 Oral)
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Nov 12, 2025 - Python
Validate synthetic chemical reactions by exploiting chemical knowledge of seq2seq Transformer models
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Jan 13, 2026 - Python
Research-oriented Streamlit GUI for single-step retrosynthesis from SMILES: PyTorch-based inference, RDKit validation & depiction, dataset-driven model checkpoints and extensible decoding.
gui deep-learning chemistry cheminformatics pytorch rdkit smiles streamlit retrosynthesis reaction-prediction
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Sep 15, 2025 - Python
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