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Bayer AG

Science for a better life

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  1. Img2Mol Img2Mol Public

    Jupyter Notebook 103 41

  2. phc-gnn phc-gnn Public

    Implementation of the Paper: "Parameterized Hypercomplex Graph Neural Networks for Graph Classification" by Tuan Le, Marco Bertolini, Frank Noé and Djork-Arné Clevert

    Python 30 6

  3. data2text-bioleaflets data2text-bioleaflets Public

    Biomedical Data-to-Text Generation via Fine-Tuning Transformers

    Python 27 3

  4. neuraldecipher neuraldecipher Public

    Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures" by Tuan Le, Robin Winter, Frank Noé and Djork-Arné Clevert

    Python 24 9

  5. pKAI pKAI Public

    pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction

    Python 24 6

  6. topefind-public topefind-public Public

    Finding the pitfalls of deep learning predictors of interacting residues in antibodies 🦠

    Python 21

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