HannesStark

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.

FlowSite

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

SMPL-NeRF

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

protein-localization

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

dirichlet-flow-matching

gnn-reinforcement-learning

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

hannes-stark

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

GNN-primer

attention-to-binding-sites

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

audioImprovement

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

molecule-ELECTRA

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

bachelorThesis

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

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".

e3nn

A modular framework for neural networks with Euclidean symmetry

ec-number-prediction

Using similarity in embedding space for predicting EC numbers

HannesStark

logag

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

testtt_anonymous

bayesian-deep-learning

bio_embeddings

Get protein embeddings from protein sequences

DIG

A library for graph deep learning research

GeoMol

images

SAN

test