A fully automated pipeline for parsing, scoring, and visualizing HDOCK protein–peptide docking results
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Updated
Sep 3, 2025 - Python
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hdock
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Python utility that bulk-submits receptor/ligand pairs to the HDOCK server, tracks job tokens
automation protein-ligand-docking batch-processing protein-protein-docking molecular-docking-scripts playwright-python hdock csv-workflow
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Updated
Sep 3, 2025 - Python
Scrapes HDOCK job result pages, extracts the “Summary of the Top 10 Models” tables for any number of complexes, and builds a single-sheet Excel workbook with embedded download links to each job’s full results archive.
python-scripts batch-processing data-scraping computational-biology-datasets protein-docking excel-reporting-in-python hdock bioinformatics-automation
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Updated
Sep 3, 2025 - Python
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