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Img2Mol
phc-gnn
Implementation of the Paper: "Parameterized Hypercomplex Graph Neural Networks for Graph Classification" by Tuan Le, Marco Bertolini, Frank Noé and Djork-Arné Clevertdata2text-bioleaflets
Biomedical Data-to-Text Generation via Fine-Tuning TransformerspKAI
pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa predictionneuraldecipher
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 Cleverttopefind-public
Finding the pitfalls of deep learning predictors of interacting residues in antibodies ðŸ¦contrastive-reconstruction
Tensorflow-keras implementation for Contrastive Reconstruction (ConRec) : a self-supervised learning algorithm that obtains image representations by jointly optimizing a contrastive and a self-reconstruction loss.abfe-benchmark
pege
Protein Environment Graph Embeddingsabbert-cerebras
plant-triplet-net
molnet-geometric-lightning
MoleculeNet Benchmarks in Pytorch Lightning with Torch Geometircmtnngc_admet
grami-example
Example project showing how to use GraMihbond-benchmark
Adding H-donor-acceptor bonds to GNNsmlr-challenges-frankenbody
Bayer's MLR antibody data modelling challengeeh-benchmark
Boosting GNN performance with lightweight QM featuresXAI4Embeddings
openslide-python-feedstock
A conda-smithy repository for openslide-python.Love Open Source and this site? Check out how you can help us