kumaranu / moleculardockingkit Goto Github PK
View Code? Open in Web Editor NEWThis package facilitates molecular docking simulations aimed at analyzing interactions between a target biological system and a collection of potential drug molecules. By leveraging computational algorithms, it ranks these molecules based on docking scores and interaction energies, providing insights into their suitability as drug candidates.
License: BSD 3-Clause "New" or "Revised" License