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igashov commited on
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Update requirements.txt

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Files changed (1) hide show
  1. requirements.txt +5 -3
requirements.txt CHANGED
@@ -1,11 +1,13 @@
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  biopython==1.79
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  imageio==2.19.2
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  networkx==2.8.4
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- torch==1.11.0
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- torchvision==0.12.0
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- torchaudio==0.11.0
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  pandas==1.4.2
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  pytorch-lightning==1.6.3
 
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  scipy==1.7.3
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  scikit-learn==1.0.1
 
 
 
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  tqdm==4.64.0
 
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  biopython==1.79
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  imageio==2.19.2
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  networkx==2.8.4
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+ openbabel==3.0.0
 
 
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  pandas==1.4.2
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  pytorch-lightning==1.6.3
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+ rdkit-pypi==2022.3.2
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  scipy==1.7.3
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  scikit-learn==1.0.1
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+ torch==1.11.0
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+ torchvision==0.12.0
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+ torchaudio==0.11.0
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  tqdm==4.64.0