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7632033
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1 Parent(s): eedf9cc

add pos-egnn

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  1. requirements.txt +3 -0
requirements.txt CHANGED
@@ -27,3 +27,6 @@ torch-optimizer
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  tqdm>=4.66.4
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  pandas==2.2.3
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  mordred
 
 
 
 
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  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