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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 🏃 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 🔬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
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
ec-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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