ChemistryAtlas Code
gnina/gnina
Docking and protein-ligand modelingGitHubsource codecheminformaticscomputational-chemistryconvolutional-neural-networksdrug-discoverymolecular-modeling
A deep learning framework for molecular docking
Why it is useful: Docking and protein-ligand modeling repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 935 stars, 199 forks, primary language: C++.
Citation: GitHub repository: gnina/gnina