awesome-molecular-docking
A curated list of resources for molecular docking, protein-protein docking, and related computational biology tasks.
What is awesome-molecular-docking?
Awesome-Molecular-Docking is a curated collection of resources focused on computational molecular docking and related tasks in structural biology and drug discovery. It aggregates datasets, software tools, and research papers to help researchers and developers navigate the field efficiently. The repository covers areas like molecule-protein docking, protein-protein docking, antibody design, and molecular dynamics simulation.
Computational biologists, bioinformaticians, drug discovery researchers, and machine learning practitioners working on protein-ligand interactions or structural biology problems. It's particularly useful for those entering the field or looking for up-to-date tools and datasets.
It saves significant time by providing a centralized, organized, and community-vetted list of resources instead of requiring manual literature and tool discovery. The focus on recent machine-learning approaches and open-source tools makes it especially valuable for modern computational biology workflows.
Overview
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
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