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mpcrlab/MolecularTransformerEmbeddings
mpcrlab/MolecularTransformerEmbeddings PublicCode and data for the Transformer neural network trained to translate between molecular text representations and create molecular embeddings.
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mpcrlab/docker_notes
mpcrlab/docker_notes PublicNotes on using docker for a development environment
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drug-term-classifier
drug-term-classifier PublicA Named Entity Recognition (NER) classifier trained to detect novel drug terms based on context
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deep-chem-fingerprint
deep-chem-fingerprint PublicDeep chemical fingerprints (256d embeddings) from a Transformer-based neural network trained to canonicalize 1B Zinc15 SMILES strings
Python 1
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