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Projects in Awesome Lists tagged with molecular-docking
A curated list of projects in awesome lists tagged with molecular-docking .
https://github.com/AngelRuizMoreno/Jupyter_Dock
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
autodock autodock-vina cheminformatics computational-biology drug-design drug-discovery drug-repurposing jupyter-notebook ledock mdanalysis molecular-docking openbabel protein protein-structure py3dmol rdkit
Last synced: 09 Aug 2024
https://github.com/MolecularAI/DockStream
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
astrazeneca chemoinformatics denovo-design jupyter-notebook molecular-docking reinforcement-learning
Last synced: 03 Aug 2024
