ewijaya / cluspro-automation-py Star 0 Code Issues Pull requests Automated protein-protein docking pipeline for ClusPro. Batch submission, queue monitoring, results parsing, and GPCR topology-aware pose validation. Enables high-throughput virtual screening of peptide-receptor interactions for drug discovery workflows. python automation structural-biology computational-biology drug-discovery virtual-screening gpcr protein-docking cluspro peptide-binding Updated Dec 20, 2025 Python