An automated molecular docking and drug-likeness analysis pipeline using GNINA, RDKit, Biopython, and PubChemPy.
python bioinformatics computational-biology drug-discovery rdkit biotechnology bioinformatics-tool molecular-docking rdkit-jupyter-docker gnina biotech-application biotech-pharma drug-discovery-tools
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Updated
Aug 5, 2026 - Jupyter Notebook