Hannes Stärk

boltzgen. BoltzGen: Toward Universal Binder Design

EquiBind. EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

3DInfomax. Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.

dirichlet-flow-matching. Python

FlowSite. Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design"

protein-localization. Using Transformer protein embeddings with a linear attention mechanism to make SOTA de-novo predictions for the subcellular location of proteins :microscope:

SMPL-NeRF. Embed human pose information into neural radiance fields (NeRF) to render images of humans in desired poses :running: from novel views

gnn-reinforcement-learning. Representing robots as graphs for reinforcement-learning in PyBullet locomotion environments.

CodonMPNN. Python

hannes-stark. Code for my website built with Angular and running on GitHub Pages.

GNN-primer. Jupyter Notebook

attention-to-binding-sites. Unsupervised method for binding site prediction using attention patterns of protein language models.

molecule-ELECTRA. Pre-train and evaluate Graph Neural Networks or Transformers on molecules with the ELECTRA method.

audioImprovement. Removing background noise from clips of speech and improving audio quality (PyTorch)

genie. Python

testtt_anonymous. HTML

logag.

e3nn. A modular framework for neural networks with Euclidean symmetry

HannesStark.

ec-number-prediction. Using similarity in embedding space for predicting EC numbers

ogb. Benchmark datasets, data loaders, and evaluators for graph machine learning

se3-transformer-public. code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503

bachelorThesis. TensorFlow code and LaTex for Bachelor Thesis: Understanding Variational Autoencoders' Latent Representations of Remote Sensing Images :earth_africa:

chroma. Python

dependencyNodeRanking. R code for NetworkCentralityCalculator. A web-tool with 5 different centrality measures. LaTex and pdf for documentation and explanation of different measures with a focus on "dependency centrality".