#
bioemu
Here are 3 public repositories matching this topic...
Ensemble pocket detection using BioEMU conformational ensembles and a graph attention network.
protein-structure conformational-analysis structural-bioinformatics graph-neural-networks torch-geometric protein-pocket-detection bioemu
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Updated
May 30, 2026 - Jupyter Notebook
MSc Final Research Project (QMUL): AI-based Conformational Sampling and MD Simulations of PP5. Data on Zenodo
ai proteins protein-structure molecular-dynamics artificial-intelligence protein drug-discovery research-project gromacs msc msc-project protein-structure-prediction alphafold phosphate alphafold2 colabfold bioemu phosphatases
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Updated
Sep 30, 2026 - Jupyter Notebook
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