Molecular Docking
3 projects
Showing 3 of 3 projects
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
Forks351
Last commit1 year ago
DOCKSTRINGPython
A Python package for easy molecular docking with a curated dataset and benchmark tasks for drug discovery.
#cheminformatics#molecular-docking#python
Stars185
Forks32
Last commit7 days ago
awesome-molecular-docking
A curated list of resources for molecular docking, protein-protein docking, and related computational biology tasks.
#cheminformatics#ai-aided-drug-discovery#protein-structure
Stars106
Forks7
Last commit3 years ago
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Community-curated · Updated weekly · 100% open source
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