Bayer AG

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 Clevert

data2text-bioleaflets

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

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 🦠

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

graph-attribution

Codebase for Evaluating Attribution for Graph Neural Networks.

pege

Protein Environment Graph Embeddings

abbert-cerebras

molnet-geometric-lightning

MoleculeNet Benchmarks in Pytorch Lightning with Torch Geometirc

grami-example

Example project showing how to use GraMi

hbond-benchmark

Adding H-donor-acceptor bonds to GNNs

mlr-challenges-frankenbody

Bayer's MLR antibody data modelling challenge

mtnngc_admet

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

eh-benchmark

Boosting GNN performance with lightweight QM features

beehive

Side project for helping beekeepers. Segment and classify honeycomb pictures to find out how many larvae, eggs, nectar, etc are in the brood.

XAI4Embeddings

bioconda-recipes

Conda recipes for the bioconda channel.

cerebras-modelzoo-bayer

Fork of cerebras' model zoo to include Bayer-specific changes

ColabFold

Making Protein folding accessible to all!

context-matters

It does.

HistoQC

HistoQC is an open-source quality control tool for digital pathology slides

mtpcm

Multi-task Proteochemometric Modelling

prettymol

Charming molecules

qupath-feedstock

A conda-smithy repository for qupath.

typedb-loader

TypeDB Loader -Data Migration Tool for TypeDB

typedb-pytorch-example

Grakn + Pytorch Geometric

typedb-pytorch-geometric