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  1. Rename processed_data/cleaned_normalized_unique_existing_smiles.txt to processed_data/smiles_Existing_PS.txt

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  2. Delete processed_data/smiles_Existing_PS.txt

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  3. Upload 2 files

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  1. Update app.py

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  2. Update app.py

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  3. Update app.py

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  4. Delete example_files/2-Butene.csv

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  5. Delete example_files/6-Methyl-6-hepten-4-yn-2-ol.jdx

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  6. Rename example_files/C71672883_IR_0.jdx to example_files/4-Bromo-3-methylphenyl isothiocyanate.jdx

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  7. Upload 4-(Methylthio)phenol.CSV

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  8. Upload C71672883_IR_0.jdx

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  9. Update app.py

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  1. Update app.py

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  2. Update app.py

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  3. Update app.py

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  4. Rename example_files/C20937579_IR_0.jdx to example_files/6-Methyl-6-hepten-4-yn-2-ol.jdx

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  5. Upload C20937579_IR_0.jdx

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  6. Delete example_files/Ethyl tert-Butyl Ether.jdx

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  7. Delete example_files/4-fluoro-ABUTINACA.jdx

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  8. Rename example_files/#781 - ortho-methyl furanyl fentanyl HCl (Lot #0621678-1).JDX to example_files/ortho-methyl furanyl fentanyl.JDX

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  9. Upload #781 - ortho-methyl furanyl fentanyl HCl (Lot #0621678-1).JDX

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  10. Upload 2 files

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  11. Delete model_weights/overall_best_nps_recall10_ir.pth

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  12. Update processed_data/smiles_Existing_PS.txt

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  13. Upload library_Existing_PS_smiles_features_fp16.gz

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  14. Update processed_data/smiles_Existing_PS.txt

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  15. Rename processed_data/unique_canonical_nist_smiles.txt to processed_data/NIST_smiles_can.txt

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  16. Delete processed_data/NIST_smiles_can.txt

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  17. Upload unique_canonical_nist_smiles.txt

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  18. Upload 2 files

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  1. Update app.py

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  2. Update app.py

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  3. Update app.py

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  4. Update app.py

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  5. Update app.py

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  6. Update app.py

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  7. Update ir_process.py

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  8. Delete Classifier_model.py

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  9. Update ir_process.py

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  10. Update app.py

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  11. Delete confidence_file

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  12. Initialize clean space with current models

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