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EquiBind
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein3DInfomax
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"dirichlet-flow-matching
SMPL-NeRF
Embed human pose information into neural radiance fields (NeRF) to render images of humans in desired poses π from novel viewsprotein-localization
Using Transformer protein embeddings with a linear attention mechanism to make SOTA de-novo predictions for the subcellular location of proteins π¬hannes-stark
Code for my website built with Angular and running on GitHub Pages.GNN-primer
CodonMPNN
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
bachelorThesis
TensorFlow code and LaTex for Bachelor Thesis: Understanding Variational Autoencoders' Latent Representations of Remote Sensing Images πec-number-prediction
Using similarity in embedding space for predicting EC numbersdependencyNodeRanking
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".logag
HannesStark
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