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    • Esben Jannik Bjerrum
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    • Esben Jannik Bjerrum

Transformer for Reaction Informatics – utilizing PyTorch Lightning

Esbenbjerrum/ April 24, 2021

In the last blogpost I covered how LSTM-to-LSTM networks could be used to “translate” reactants into products of chemical reactions. Performance was however not very good of

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Deep Learning Reaction Prediction with PyTorch

Esbenbjerrum/ March 29, 2021

In this blogpost I’ll show how to predict chemical reactions with a sequence to sequence network based on LSTM cells. It’s the same principle as IBM’s RXN

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