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seyonechithrananda/bert-loves-chemistry

A collection of BERT-like models trained on chemical SMILES data for drug design and property prediction.

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ChemBERTa provides BERT/RoBERTa transformer models pre-trained on molecular datasets (ZINC, PubChem) for cheminformatics tasks. The models apply masked language modeling to chemical SMILES notation to learn molecular representations. Pre-trained weights for various dataset sizes are available on HuggingFace for downstream fine-tuning on property prediction and drug discovery tasks.

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