DOCKSTRING
github.com/dockstring/dockstringAutomates and standardizes ligand preparation for AutoDock Vina.
Sourced from
- Awesome Cheminformatics — github.com/dockstring/dockstring
Related resources
Interaction Fingerprints for protein-ligand complexes and more.
Open Drug Discovery Toolkit, a modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc.