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README.md
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## WarmMolGenTwo
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A target-specific molecule generator model which is warm started (i.e. initialized) from pretrained biochemical language models and trained on interacting protein-compound pairs, viewing targeted molecular generation as a translation task between protein and molecular languages. It was introduced in
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WarmMolGenTwo is a Transformer-based encoder-decoder model initialized with [Protein RoBERTa](https://github.com/PaccMann/paccmann_proteomics) and [ChemBERTaLM](https://huggingface.co/gokceuludogan/ChemBERTaLM) checkpoints, and then, trained on interacting protein-compound pairs filtered from [BindingDB](https://www.bindingdb.org/rwd/bind/index.jsp). The model takes a protein sequence as
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## How to use
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## WarmMolGenTwo
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A target-specific molecule generator model which is warm started (i.e. initialized) from pretrained biochemical language models and trained on interacting protein-compound pairs, viewing targeted molecular generation as a translation task between protein and molecular languages. It was introduced in the paper, "Exploiting pretrained biochemical language models for
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targeted drug design", which has been accepted for publication in *Bioinformatics* Published by Oxford University Press and first released in [this repository](https://github.com/boun-tabi/biochemical-lms-for-drug-design).
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WarmMolGenTwo is a Transformer-based encoder-decoder model initialized with [Protein RoBERTa](https://github.com/PaccMann/paccmann_proteomics) and [ChemBERTaLM](https://huggingface.co/gokceuludogan/ChemBERTaLM) checkpoints, and then, trained on interacting protein-compound pairs filtered from [BindingDB](https://www.bindingdb.org/rwd/bind/index.jsp). The model takes a protein sequence as an input and outputs a SMILES sequence.
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## How to use
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