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simonduerr commited on
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Update requirements.txt

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  1. requirements.txt +5 -3
requirements.txt CHANGED
@@ -16,15 +16,17 @@ spyrmsd==0.5.2
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  sympy==1.11.1
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  spyrmsd==0.5.2
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  sympy==1.11.1
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- torch==1.12.1
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  numpy==1.23.1
 
 
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  torchaudio==0.12.1
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  torchvision==0.13.1
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- rdkit-pypi==2022.3.5
 
 
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  torch-scatter
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  torch-sparse
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  torch-cluster
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  torch-spline-conv
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  torch-geometric
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- -f https://download.pytorch.org/whl/cu102/torch_stable.html
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  -f https://data.pyg.org/whl/torch-1.12.0+cu102.html
 
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  sympy==1.11.1
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  spyrmsd==0.5.2
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  sympy==1.11.1
 
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  numpy==1.23.1
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+ rdkit-pypi==2022.3.5
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+ torch==1.12.1
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  torchaudio==0.12.1
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  torchvision==0.13.1
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+ -f https://download.pytorch.org/whl/cu102/torch_stable.html
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+
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+
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  torch-scatter
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  torch-sparse
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  torch-cluster
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  torch-spline-conv
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  torch-geometric
 
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  -f https://data.pyg.org/whl/torch-1.12.0+cu102.html