Molecular Docking
4 projects
Showing 4 of 4 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
Forks356
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
Stars188
Forks32
Last commit2 months 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
Forks8
Last commit3 years ago
confgenHTML
A web application for generating small ligand conformers for molecular docking using RDKit.
#cheminformatics#molecular-docking#rdkit
Stars7
Forks0
Last commit6 months ago
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Community-curated · Updated weekly · 100% open source
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