hotwa b85faf48cd Initial commit

2025-11-14 18:46:03 +08:00

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01_extract_sdf_files.ipynb

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02_rdkit_substructure_matching.ipynb

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03_cpu_detection_joblib_matching.ipynb

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04_rdkit_parallel_analysis.ipynb

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05_macrolactone_complete_fix.ipynb

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06_macrolactone_filtering_fixed.ipynb

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07_visualize_macrolactone_rings.ipynb

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filter_molecules.ipynb

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