Pinned Repositories
abfe-benchmark
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.
data2text-bioleaflets
Biomedical Data-to-Text Generation via Fine-Tuning Transformers
graph-attribution
Codebase for Evaluating Attribution for Graph Neural Networks.
Img2Mol
neuraldecipher
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
pege
Protein Environment Graph Embeddings
phc-gnn
Implementation of the Paper: "Parameterized Hypercomplex Graph Neural Networks for Graph Classification" by Tuan Le, Marco Bertolini, Frank Noé and Djork-Arné Clevert
pKAI
pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction
topefind-public
Finding the pitfalls of deep learning predictors of interacting residues in antibodies 🦠
Bayer AG's Repositories
bayer-science-for-a-better-life/Img2Mol
bayer-science-for-a-better-life/phc-gnn
Implementation of the Paper: "Parameterized Hypercomplex Graph Neural Networks for Graph Classification" by Tuan Le, Marco Bertolini, Frank Noé and Djork-Arné Clevert
bayer-science-for-a-better-life/data2text-bioleaflets
Biomedical Data-to-Text Generation via Fine-Tuning Transformers
bayer-science-for-a-better-life/pKAI
pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction
bayer-science-for-a-better-life/topefind-public
Finding the pitfalls of deep learning predictors of interacting residues in antibodies 🦠
bayer-science-for-a-better-life/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.
bayer-science-for-a-better-life/abfe-benchmark
bayer-science-for-a-better-life/graph-attribution
Codebase for Evaluating Attribution for Graph Neural Networks.
bayer-science-for-a-better-life/pege
Protein Environment Graph Embeddings
bayer-science-for-a-better-life/abbert-cerebras
bayer-science-for-a-better-life/molnet-geometric-lightning
MoleculeNet Benchmarks in Pytorch Lightning with Torch Geometirc
bayer-science-for-a-better-life/grami-example
Example project showing how to use GraMi
bayer-science-for-a-better-life/hbond-benchmark
Adding H-donor-acceptor bonds to GNNs
bayer-science-for-a-better-life/mlr-challenges-frankenbody
Bayer's MLR antibody data modelling challenge
bayer-science-for-a-better-life/mtnngc_admet
bayer-science-for-a-better-life/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
bayer-science-for-a-better-life/eh-benchmark
Boosting GNN performance with lightweight QM features
bayer-science-for-a-better-life/beehive
Side project for helping beekeepers. Segment and classify honeycomb pictures to find out how many larvae, eggs, nectar, etc are in the brood.
bayer-science-for-a-better-life/XAI4Embeddings
bayer-science-for-a-better-life/bioconda-recipes
Conda recipes for the bioconda channel.
bayer-science-for-a-better-life/cerebras-modelzoo-bayer
Fork of cerebras' model zoo to include Bayer-specific changes
bayer-science-for-a-better-life/ColabFold
Making Protein folding accessible to all!
bayer-science-for-a-better-life/context-matters
It does.
bayer-science-for-a-better-life/HistoQC
HistoQC is an open-source quality control tool for digital pathology slides
bayer-science-for-a-better-life/mtpcm
Multi-task Proteochemometric Modelling
bayer-science-for-a-better-life/prettymol
Charming molecules
bayer-science-for-a-better-life/qupath-feedstock
A conda-smithy repository for qupath.
bayer-science-for-a-better-life/typedb-loader
TypeDB Loader -Data Migration Tool for TypeDB
bayer-science-for-a-better-life/typedb-pytorch-example
Grakn + Pytorch Geometric
bayer-science-for-a-better-life/typedb-pytorch-geometric