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jannisborn commited on
Commit
f316304
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1 Parent(s): 571b9f0

update

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Files changed (1) hide show
  1. requirements.txt +1 -0
requirements.txt CHANGED
@@ -18,6 +18,7 @@ markdown-it-py>=2.1.0
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  mols2grid>=0.2.0
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  numpy==1.23.5
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  pandas>=1.0.0
 
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  terminator @ git+https://github.com/IBM/regression-transformer@gt4sd
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  guacamol_baselines @ git+https://github.com/GT4SD/guacamol_baselines.git@v0.0.2
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  moses @ git+https://github.com/GT4SD/moses.git@v0.1.0
 
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  mols2grid>=0.2.0
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  numpy==1.23.5
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  pandas>=1.0.0
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+ pymatgen
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  terminator @ git+https://github.com/IBM/regression-transformer@gt4sd
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  guacamol_baselines @ git+https://github.com/GT4SD/guacamol_baselines.git@v0.0.2
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  moses @ git+https://github.com/GT4SD/moses.git@v0.1.0