Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

conda-forge.org "docking" keyword

pyqtads 3.8.2
Advanced Docking System for Qt
23 versions - Latest release: almost 2 years ago - 1 dependent package - 1,129 stars on GitHub
oddt 0.7
Open Drug Discovery Toolkit
1 version - Latest release: about 4 years ago - 1 dependent repositories - 316 stars on GitHub
prolif 1.1.0
Interaction Fingerprints for protein-ligand complexes and more
2 versions - Latest release: over 1 year ago - 1 dependent repositories - 218 stars on GitHub
Related Keywords
rdkit 2 cpp 1 docking-framework 1 docking-library 1 qt5 1 cheminformatics 1 openbabel 1 python 1 scoring 1 screening 1 chemoinformatics 1 drug-design 1 molecular-dynamics 1