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Datasets:
Desp-ML
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Bioactivity_Final_Project_QM9

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Bioactivity_Final_Project_QM9 / src
24.9 kB
  • 1 contributor
History: 1 commit
Desp-ML's picture
Desp-ML
Upload 18 files
43fd9b3 verified 8 months ago
  • 00_download_data.sh
    119 Bytes
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  • 01_batch_data.py
    520 Bytes
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  • 02_process_batch.py
    3.18 kB
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  • 03_run_batches.sh
    12.1 kB
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  • 04_merge_data.py
    849 Bytes
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  • 05_sanitize_data.py
    688 Bytes
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  • 06_calculate_ecfp.py
    935 Bytes
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  • 07_calculate_properties.py
    1.74 kB
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  • 08_organize_columns.py
    554 Bytes
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  • 09_unpack_ecfp4.py
    1.52 kB
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  • 10_finalize_ml_data.py
    482 Bytes
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  • 11_split_ml_data.py
    684 Bytes
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  • 12_train_randomforest.py
    1.58 kB
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