Bayer AG

Results 7 repositories owned by Bayer AG

neuraldecipher

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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

phc-gnn

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

pKAI

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

contrastive-reconstruction

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Tensorflow-keras implementation for Contrastive Reconstruction (ConRec) : a self-supervised learning algorithm that obtains image representations by jointly optimizing a contrastive and a self-reconst...

topefind-public

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