Structural Bioinformatics
3 projects
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DiffDockPython
A state-of-the-art diffusion model for predicting how small molecules (ligands) bind to proteins.
#molecular-docking#diffusion-models#computational-biology
Stars1.5k
Forks349
Last commit1 year ago
TeachOpenCADDJupyter Notebook
A teaching platform providing interactive Jupyter Notebooks for learning computer-aided drug design (CADD) using open-source tools.
#cheminformatics#computer-aided-drug-design#deep-learning
Stars1.0k
Forks227
Last commit
pdb-toolsPython
A dependency-free cross-platform Swiss Army knife for manipulating and editing Protein Data Bank (PDB) files.
#scientific-computing#command-line-tools#pdb-manipulation
Stars453
Forks121
Last commit6 days ago
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