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	update requirements.txt
Browse files- requirements.txt +1 -1
 
    	
        requirements.txt
    CHANGED
    
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         @@ -7,6 +7,7 @@ scipy>=1.12.0 
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            torch>=2.1.0
         
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            torchinfo>=1.8.0
         
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            torch-geometric>=2.3.1
         
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            pandas>=1.5.3
         
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            pyarrow>=14.0.1
         
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            scikit-learn>=1.5.0
         
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         @@ -28,5 +29,4 @@ tqdm>=4.66.4 
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            pandas==2.2.3
         
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            mordred
         
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            ase==3.24.0
         
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            torch_scatter
         
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            torch_nl==0.3
         
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            torch>=2.1.0
         
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            torchinfo>=1.8.0
         
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            torch-geometric>=2.3.1
         
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            torch_scatter==2.1.2
         
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            pandas>=1.5.3
         
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            pyarrow>=14.0.1
         
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            scikit-learn>=1.5.0
         
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            pandas==2.2.3
         
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            mordred
         
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            ase==3.24.0
         
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            torch_nl==0.3
         
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