/tools/retrosynthesis-transformer
retrosynthesis-transformer
deepbiolab/retrosynthesis-transformer
0 stars0 forksJupyter NotebookAdded February 8, 2026
summary
The 'retrosynthesis-transformer' repository provides a TensorFlow-based Transformer model designed to predict reactant molecules from target molecules represented as SMILES strings. It includes tutorials for beginners to understand neural networks and how to implement sequence-to-sequence models in computational chemistry.
description
A TensorFlow-based Transformer model for predicting reactant molecules in retrosynthesis. This repository includes comprehensive tutorials for beginners to learn neural networks and TensorFlow, enabling users to build and understand advanced sequence-to-sequence models in computational chemistry.
topics
computational-chemistryneural-networksretrosynthesistransformertutorials
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