Bayer AG (@bayer-science-for-a-better-life)
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bayer-science-for-a-better-life

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Top repositories

1

Img2Mol

Jupyter Notebook
107
star
2

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
Python
31
star
3

data2text-bioleaflets

Biomedical Data-to-Text Generation via Fine-Tuning Transformers
Python
29
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4

pKAI

pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction
Python
24
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5

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
Python
24
star
6

topefind-public

Finding the pitfalls of deep learning predictors of interacting residues in antibodies 🦠
Python
22
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7

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.
Python
16
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8

abfe-benchmark

Jupyter Notebook
9
star
9

pege

Protein Environment Graph Embeddings
Python
7
star
10

abbert-cerebras

Python
6
star
11

plant-triplet-net

Python
4
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12

molnet-geometric-lightning

MoleculeNet Benchmarks in Pytorch Lightning with Torch Geometirc
Jupyter Notebook
4
star
13

mtnngc_admet

Python
3
star
14

grami-example

Example project showing how to use GraMi
Java
3
star
15

hbond-benchmark

Adding H-donor-acceptor bonds to GNNs
Jupyter Notebook
3
star
16

mlr-challenges-frankenbody

Bayer's MLR antibody data modelling challenge
Python
3
star
17

eh-benchmark

Boosting GNN performance with lightweight QM features
Python
2
star
18

beehive

Side project for helping beekeepers. Segment and classify honeycomb pictures to find out how many larvae, eggs, nectar, etc are in the brood.
Python
1
star
19

XAI4Embeddings

Python
1
star
20

openslide-python-feedstock

A conda-smithy repository for openslide-python.
Shell
1
star