jamesgleave/DD_protocol
Official repository for the Deep Docking protocol
The Deep Docking (DD) protocol helps drug discovery scientists rapidly screen vast chemical libraries for potential drug candidates. You feed it a large list of chemical structures (SMILES format), and it quickly identifies the most promising molecules for further testing, significantly accelerating the early stages of drug development. This tool is ideal for medicinal chemists, computational chemists, and researchers involved in virtual screening.
125 stars. No commits in the last 6 months.
Use this if you need to quickly and efficiently sift through massive chemical databases to find compounds with high docking potential, saving significant time compared to traditional docking methods.
Not ideal if you are looking for a standalone, all-in-one software with a graphical user interface, as this project provides scripts for integration into an existing computational workflow.
Stars
125
Forks
36
Language
Python
License
MIT
Category
Last pushed
Nov 30, 2023
Commits (30d)
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