🔬 pyProCT (Python 3 fork) brings the original pyProCT clustering toolkit back to life under modern Python. ⚙️ This version fixes Python 2 legacy issues, updates Cython extensions, adapts to recent NumPy/SciPy APIs, and ensures all clustering algorithms and postprocessing actions work end-to-end.
bioinformatics clustering protein-structure molecular-dynamics python3 computational-chemistry structural-bioinformatics md-simulations protein-docking pyproct ligand-docking
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Updated
Aug 25, 2026 - Python